Structure of 4'-Chloroacetophenone (C8H7ClO)
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![2D chemical structure image of 4'-Chloroacetophenone](http://static.molinstincts.com/compound_common/4-Chloroacetophenone-2D-structure-CT1001921040.png)
Chemical Formula | C8H7ClO |
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Molecular Weight | 154.59328 g/mol |
IUPAC Name | 1-(4-chlorophenyl)ethan-1-one |
SMILES String | CC(=O)c1ccc(Cl)cc1 |
InChI | InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
InChIKey | BUZYGTVTZYSBCU-UHFFFAOYSA-N |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 4'-Chloroacetophenone molecule contains a total of 17 bond(s). There are 10 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ketone(s) (aromatic). Images of the chemical structure of 4'-Chloroacetophenone are given below:
![2D chemical structure image of 4'-Chloroacetophenone](http://static.molinstincts.com/compound_common/4-Chloroacetophenone-2D-structure-CT1001921040.png)
![3D chemical structure image of 4'-Chloroacetophenone](http://static.molinstincts.com/compound_3d/4-Chloroacetophenone-3D-structure-CT1001921040.png)
The 2D chemical structure image of 4'-Chloroacetophenone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4'-Chloroacetophenone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 4'-Chloroacetophenone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 4'-Chloroacetophenone. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 4'-Chloroacetophenone is provided here.
The 4'-Chloroacetophenone molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 4'-Chloroacetophenone molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 4'-Chloroacetophenone can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
Search Another Chemical Structure
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying 4'-Chloroacetophenone Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 4'-Chloroacetophenone
The SMILES string of 4'-Chloroacetophenone is CC(=O)c1ccc(Cl)cc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4'-Chloroacetophenone.
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Structure Data File (SDF/MOL File) of 4'-Chloroacetophenone
The structure data file (SDF/MOL File) of 4'-Chloroacetophenone is available for download in the SDF page of 4'-Chloroacetophenone, which provides the information about the atoms, bonds, connectivity and coordinates of 4'-Chloroacetophenone. The 4'-Chloroacetophenone structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 4'-Chloroacetophenone
The molecular formula of 4'-Chloroacetophenone is available in chemical formula page of 4'-Chloroacetophenone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 4'-Chloroacetophenone
The molecular weight of 4'-Chloroacetophenone is available in molecular weight page of 4'-Chloroacetophenone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of 4'-Chloroacetophenone
The 4'-Chloroacetophenone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4'-Chloroacetophenone including the various registry numbers, if available:
- T7106877
- BBV-46875822
- EN300-17998
- F2147-0328
- Z57127462
- Q-200456
- I01-6210
- A846097
- M-6154
- 4 inverted exclamation mark -chloro-acetophenon
- RTR-030499
- LABOTEST-BB LT01147632
- BDBM50304447
- ANW-41077
- ZV4A71K303
- 4-CHLORO-1-ACETYLBENZENE
- 1-(4-chlorophenyl)ethanone[qr]
- 4'-Chloroacetophenone, 97%
- 1-(4-chlorophenyl)-ethanon
- acetophenone,4-chloro-[qr]
- bmse000518
- 4-chlorophenylmethylketone
- 4-chloroacetophenone[qr]
- 4-chloro acetophenone
- p-chloro-acetophenone
- p'-chloroacetophenone
- MFCD00000624
- Acetophenone, 4'-chloro- (8CI)
- 1-(4-chloro-phenyl)-ethanone
- 1-acetyl-4-chlorobenzene
- chloroacetophenone-4
- Methyl 4-chlorophenyl ketone
- 4-Chlorophenyl methyl ketone
- p-Chlorophenyl methyl ketone
- Methyl p-chlorophenyl ketone
- 1-(4-Chlorophenyl)-ethanone
- USAF DO-1
- p-Acetylchlorobenzene
- p-Chloracetophenone
- 4-Acetylchlorobenzene
- Acetophenone, 4'-chloro-
- Ethanone, 1-(4-chlorophenyl)-
- P-CHLOROACETOPHENONE
- 4-Chloroacetophenone
- 99-91-2
- 1-(4-Chlorophenyl)ethanone
- 4'-Chloroacetophenone
4'-Chloroacetophenone Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 4'-Chloroacetophenone? |
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C8H7ClO |
How many atoms and what are the elements included the 4'-Chloroacetophenone molecule? |
17 atom(s) - 7 Hydrogen atom(s), 8 Carbon atom(s), 1 Oxygen atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the 4'-Chloroacetophenone structure? |
17 bond(s) - 10 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ketone(s) (aromatic) |
What’s the 4'-Chloroacetophenone’s molecular weight? |
154.59328 g/mol |
What’s the SMILES code of 4'-Chloroacetophenone? |
CC(=O)c1ccc(Cl)cc1 |
What’s the InChI string of 4'-Chloroacetophenone? |
InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
What’s the InChIKey code of 4'-Chloroacetophenone? |
BUZYGTVTZYSBCU-UHFFFAOYSA-N |