Structure of Iminodibenzyl Carbonyl Chloride (C16H13Cl2NO2)
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Chemical Formula | C16H13Cl2NO2 |
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Molecular Weight | 322.18592 g/mol |
IUPAC Name | 2-[(2-chloro-2-oxo-1-phenylethyl)amino]-2-phenylacetyl chloride |
SMILES String | ClC(=O)C(NC(C(Cl)=O)c1ccccc1)c2ccccc2 |
InChI | InChI=1S/C16H13Cl2NO2/c17-15(20)13(11-7-3-1-4-8-11)19-14(16(18)21)12-9-5-2-6-10-12/h1-10,13-14,19H |
InChIKey | YXIVQOJLTVTNOC-UHFFFAOYSA-N |
Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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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 Iminodibenzyl Carbonyl Chloride molecule contains a total of 35 bond(s). There are 22 non-H bond(s), 14 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 2 acyl halogenide(s) (aliphatic), and 1 secondary amine(s) (aliphatic). Images of the chemical structure of Iminodibenzyl Carbonyl Chloride are given below:
The 2D chemical structure image of Iminodibenzyl Carbonyl Chloride is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Iminodibenzyl Carbonyl Chloride 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 Iminodibenzyl Carbonyl Chloride 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 Iminodibenzyl Carbonyl Chloride. 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 Iminodibenzyl Carbonyl Chloride is provided here.
The Iminodibenzyl Carbonyl Chloride 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 Iminodibenzyl Carbonyl Chloride 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 Iminodibenzyl Carbonyl Chloride 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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Additional Information for Identifying Iminodibenzyl Carbonyl Chloride Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Iminodibenzyl Carbonyl Chloride
The SMILES string of Iminodibenzyl Carbonyl Chloride is ClC(=O)C(NC(C(Cl)=O)c1ccccc1)c2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Iminodibenzyl Carbonyl Chloride.
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Structure Data File (SDF/MOL File) of Iminodibenzyl Carbonyl Chloride
The structure data file (SDF/MOL File) of Iminodibenzyl Carbonyl Chloride is available for download in the SDF page of Iminodibenzyl Carbonyl Chloride, which provides the information about the atoms, bonds, connectivity and coordinates of Iminodibenzyl Carbonyl Chloride. The Iminodibenzyl Carbonyl Chloride structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Iminodibenzyl Carbonyl Chloride
The molecular formula of Iminodibenzyl Carbonyl Chloride is available in chemical formula page of Iminodibenzyl Carbonyl Chloride, 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 Iminodibenzyl Carbonyl Chloride
The molecular weight of Iminodibenzyl Carbonyl Chloride is available in molecular weight page of Iminodibenzyl Carbonyl Chloride, 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 Iminodibenzyl Carbonyl Chloride
The Iminodibenzyl Carbonyl Chloride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Iminodibenzyl Carbonyl Chloride including the various registry numbers, if available:
- Iminodibenzyl Carbonyl Chloride
Iminodibenzyl Carbonyl Chloride Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Iminodibenzyl Carbonyl Chloride? |
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C16H13Cl2NO2 |
How many atoms and what are the elements included the Iminodibenzyl Carbonyl Chloride molecule? |
34 atom(s) - 13 Hydrogen atom(s), 16 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 2 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the Iminodibenzyl Carbonyl Chloride structure? |
35 bond(s) - 22 non-H bond(s), 14 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 2 acyl halogenide(s) (aliphatic), and 1 secondary amine(s) (aliphatic) |
What’s the Iminodibenzyl Carbonyl Chloride’s molecular weight? |
322.18592 g/mol |
What’s the SMILES code of Iminodibenzyl Carbonyl Chloride? |
ClC(=O)C(NC(C(Cl)=O)c1ccccc1)c2ccccc2 |
What’s the InChI string of Iminodibenzyl Carbonyl Chloride? |
InChI=1S/C16H13Cl2NO2/c17-15(20)13(11-7-3-1-4-8-11)19-14(16(18)21)12-9-5-2-6-10-12/h1-10,13-14,19H |
What’s the InChIKey code of Iminodibenzyl Carbonyl Chloride? |
YXIVQOJLTVTNOC-UHFFFAOYSA-N |