CJZ

2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid

Created:	2010-03-17
Last modified:	2011-06-04

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1 entries where CJZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of CJZ

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Chemical Component Summary
Name	2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(3,5-dichloro-4-hydroxy-phenyl)amino]benzoic acid
Formula	C₁₃ H₉ Cl₂ N O₃
Molecular Weight	298.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(cc(Cl)c1O)Nc2ccccc2C(=O)O
SMILES	CACTVS	3.370	OC(=O)c1ccccc1Nc2cc(Cl)c(O)c(Cl)c2
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl
Canonical SMILES	CACTVS	3.370	OC(=O)c1ccccc1Nc2cc(Cl)c(O)c(Cl)c2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl
InChI	InChI	1.03	InChI=1S/C13H9Cl2NO3/c14-9-5-7(6-10(15)12(9)17)16-11-4-2-1-3-8(11)13(18)19/h1-6,16-17H,(H,18,19)
InChIKey	InChI	1.03	AKTRZQGZDAYEOG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11645079
ChEMBL	CHEMBL1231799

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