9CL

(chloromethyl)benzene

Created:	2009-02-16
Last modified:	2011-06-04

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1 entries where 9CL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	6

2D diagram of 9CL

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Chemical Component Summary
Name	(chloromethyl)benzene
Systematic Name (OpenEye OEToolkits)	chloromethylbenzene
Formula	C₇ H₇ Cl
Molecular Weight	126.583
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ClCc1ccccc1
SMILES	CACTVS	3.370	ClCc1ccccc1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CCl
Canonical SMILES	CACTVS	3.370	ClCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CCl
InChI	InChI	1.03	InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey	InChI	1.03	KCXMKQUNVWSEMD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7503
ChEMBL	CHEMBL498878
ChEBI	CHEBI:615597
CCDC/CSD	XAFTUV, GUNMIL

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.