4CL

4-CHLOROBENZENE-1,2-DIOL

Created:	2007-06-18
Last modified:	2011-06-04

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2 entries where 4CL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	6

2D diagram of 4CL

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Chemical Component Summary
Name	4-CHLOROBENZENE-1,2-DIOL
Systematic Name (OpenEye OEToolkits)	4-chlorobenzene-1,2-diol
Formula	C₆ H₅ Cl O₂
Molecular Weight	144.556
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(O)c(O)cc1
SMILES	CACTVS	3.341	Oc1ccc(Cl)cc1O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1Cl)O)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(Cl)cc1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1Cl)O)O
InChI	InChI	1.03	InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey	InChI	1.03	WWOBYPKUYODHDG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16496
ChEBI	CHEBI:27772

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.