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Summary Geometry Related PDB entries

YM9

Summary

Name:	(5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid
Formula:	C15 H10 Cl F N2 O2
Formal charge:	0
Formula weight:	304.704 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid
OpenEye OEToolkits	2.0.7	6-(2-chloranyl-5-fluoranyl-4-methyl-phenyl)-3~{H}-benzimidazole-4-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(c2cc3nc[NH]c3c(c2)C(=O)O)c(Cl)cc1C
InChI	InChI	1.06	InChI=1S/C15H10ClFN2O2/c1-7-2-11(16)9(5-12(7)17)8-3-10(15(20)21)14-13(4-8)18-6-19-14/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKey	InChI	1.06	DYYWPYAEACAPSR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(Cl)c(cc1F)c2cc3nc[nH]c3c(c2)C(O)=O
SMILES	CACTVS	3.385	Cc1cc(Cl)c(cc1F)c2cc3nc[nH]c3c(c2)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1F)c2cc(c3c(c2)nc[nH]3)C(=O)O)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1F)c2cc(c3c(c2)nc[nH]3)C(=O)O)Cl

222415

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