C2U

3,5-dichloro-2-hydroxybenzoic acid

Created:	2008-01-31
Last modified:	2011-06-04

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3 entries where C2U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of C2U

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Chemical Component Summary
Name	3,5-dichloro-2-hydroxybenzoic acid
Systematic Name (OpenEye OEToolkits)	3,5-dichloro-2-hydroxy-benzoic acid
Formula	C₇ H₄ Cl₂ O₃
Molecular Weight	207.011
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(Cl)cc(C(=O)O)c1O
SMILES	CACTVS	3.341	OC(=O)c1cc(Cl)cc(Cl)c1O
SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c(c1C(=O)O)O)Cl)Cl
Canonical SMILES	CACTVS	3.341	OC(=O)c1cc(Cl)cc(Cl)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c(c1C(=O)O)O)Cl)Cl
InChI	InChI	1.03	InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey	InChI	1.03	CNJGWCQEGROXEE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL449129
PubChem	9445
ChEMBL	CHEMBL449129
CCDC/CSD	WECXAE, JOJXIS, JOJXEO, RIMWOC, RAVLOS, JOJXAK, ENEPIY, RAVXIY, ENEPAQ, RIMWOC01

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