8CL

chlorobenzene

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

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1 entries where 8CL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	6

2D diagram of 8CL

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Chemical Component Summary
Name	chlorobenzene
Systematic Name (OpenEye OEToolkits)	chlorobenzene
Formula	C₆ H₅ Cl
Molecular Weight	112.557
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccccc1
SMILES	CACTVS	3.341	Clc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Cl
Canonical SMILES	CACTVS	3.341	Clc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Cl
InChI	InChI	1.03	InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKey	InChI	1.03	MVPPADPHJFYWMZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7964
ChEMBL	CHEMBL16200
ChEBI	CHEBI:28097
CCDC/CSD	CUKQUW, GAWQUQ, AKIVAS, EMOLOI, AWIQEC, BAYCEM, DIJDUY, COYSUH, CODPAO, ECENUW, GIRLAU, DILNIV, DILNIV10, FIPGIU, FURPEO, HEQGUF, FUFXIP, FEZYUE, GOSZAR, BOGFOS, BOGFOS10, AKOTUQ, GUYSOK, CHPMOC, HAWLEZ, CAFVIR, HUJWUF, FOYJOS, CAXFEM, GUNLUW, GONGIC, GEJQES, DOSGUP, HECVAN, BUBQIY, ACEBOB, FEXBAL, FEXBAL10, BOWCUN, CPMTCZ, GOTMIL, EKIJIS, BAPYEX, COSJOJ, GUKKAZ, EBZPPD10, CIMVAY, ESOYET, CACPUV

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.