Structure of 3-CHLOROPHENYL CYCLOPENTYL KETONE (C12H13ClO)
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Chemical Formula | C12H13ClO |
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Molecular Weight | 208.68372 g/mol |
IUPAC Name | (3-chlorophenyl)(cyclopentyl)methanone |
SMILES String | Clc1cccc(c1)C(=O)C2CCCC2 |
InChI | InChI=1S/C12H13ClO/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2 |
InChIKey | XOIRTJDXSCKPCE-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 3-CHLOROPHENYL CYCLOPENTYL KETONE molecule contains a total of 28 bond(s). There are 15 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 ketone(s) (aromatic). Images of the chemical structure of 3-CHLOROPHENYL CYCLOPENTYL KETONE are given below:


The 2D chemical structure image of 3-CHLOROPHENYL CYCLOPENTYL KETONE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-CHLOROPHENYL CYCLOPENTYL KETONE 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 3-CHLOROPHENYL CYCLOPENTYL KETONE 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 3-CHLOROPHENYL CYCLOPENTYL KETONE. 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 3-CHLOROPHENYL CYCLOPENTYL KETONE is provided here.
The 3-CHLOROPHENYL CYCLOPENTYL KETONE 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 3-CHLOROPHENYL CYCLOPENTYL KETONE 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 3-CHLOROPHENYL CYCLOPENTYL KETONE 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.
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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 3-CHLOROPHENYL CYCLOPENTYL KETONE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 3-CHLOROPHENYL CYCLOPENTYL KETONE
The SMILES string of 3-CHLOROPHENYL CYCLOPENTYL KETONE is Clc1cccc(c1)C(=O)C2CCCC2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-CHLOROPHENYL CYCLOPENTYL KETONE.
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Structure Data File (SDF/MOL File) of 3-CHLOROPHENYL CYCLOPENTYL KETONE
The structure data file (SDF/MOL File) of 3-CHLOROPHENYL CYCLOPENTYL KETONE is available for download in the SDF page of 3-CHLOROPHENYL CYCLOPENTYL KETONE, which provides the information about the atoms, bonds, connectivity and coordinates of 3-CHLOROPHENYL CYCLOPENTYL KETONE. The 3-CHLOROPHENYL CYCLOPENTYL KETONE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 3-CHLOROPHENYL CYCLOPENTYL KETONE
The molecular formula of 3-CHLOROPHENYL CYCLOPENTYL KETONE is available in chemical formula page of 3-CHLOROPHENYL CYCLOPENTYL KETONE, 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 3-CHLOROPHENYL CYCLOPENTYL KETONE
The molecular weight of 3-CHLOROPHENYL CYCLOPENTYL KETONE is available in molecular weight page of 3-CHLOROPHENYL CYCLOPENTYL KETONE, 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 3-CHLOROPHENYL CYCLOPENTYL KETONE
The 3-CHLOROPHENYL CYCLOPENTYL KETONE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-CHLOROPHENYL CYCLOPENTYL KETONE including the various registry numbers, if available:
- MFCD03841307
- Cyclopentyl(3-chlorophenyl)methanone
- (3-Chlorophenyl)cyclopentylmethanone
- m-chlorophenyl cyclopentyl ketone
- 1855-40-9
- 3-CHLOROPHENYL CYCLOPENTYL KETONE
3-CHLOROPHENYL CYCLOPENTYL KETONE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 3-CHLOROPHENYL CYCLOPENTYL KETONE? |
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C12H13ClO |
How many atoms and what are the elements included the 3-CHLOROPHENYL CYCLOPENTYL KETONE molecule? |
27 atom(s) - 13 Hydrogen atom(s), 12 Carbon atom(s), 1 Oxygen atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the 3-CHLOROPHENYL CYCLOPENTYL KETONE structure? |
28 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 ketone(s) (aromatic) |
What’s the 3-CHLOROPHENYL CYCLOPENTYL KETONE’s molecular weight? |
208.68372 g/mol |
What’s the SMILES code of 3-CHLOROPHENYL CYCLOPENTYL KETONE? |
Clc1cccc(c1)C(=O)C2CCCC2 |
What’s the InChI string of 3-CHLOROPHENYL CYCLOPENTYL KETONE? |
InChI=1S/C12H13ClO/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2 |
What’s the InChIKey code of 3-CHLOROPHENYL CYCLOPENTYL KETONE? |
XOIRTJDXSCKPCE-UHFFFAOYSA-N |