AG00777R

39811-14-8 | 6-Chloro-1H-benzoimidazole-2-carboxylic acid

AG00777R

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CAS Number	39811-14-8
Catalog Number	AG00777R(AGN-PC-0WABWD)
Chemical Name	6-Chloro-1H-benzoimidazole-2-carboxylic acid
IUPAC Name	6-chloro-1H-benzimidazole-2-carboxylic acid
InChI	InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	NZIHMSYSZRFUQJ-UHFFFAOYSA-N
MDL Number	MFCD06739053
Molecular Formula	C8H5ClN2O2
Molecular Weight	196.5905
SMILES	O=C(C1=NC2=CC(Cl)=CC=C2N1)O
Synonyms	39811-14-8, 6-chloro-1H-benzoimidazole-2-carboxylic Acid, 5-chloro-1H-benzimidazole-2-carboxylic acid, 5-Chloro-1H-benzo[d]imidazole-2-carboxylic acid, 6-Chloro-1H-benzo[d]imidazole-2-carboxylic acid, 5-Chloro-1H-benzoimidazole-2-carboxylic acid, 6-chlorobenzimidazole-2-carboxylic acid, 5-chloro-1H-1,3-benzodiazole-2-carboxylic acid, 6-CHLORO-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, MFCD06739053, 1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 6-CHLORO-, CHEMBL22586, SCHEMBL523253, CTK1C1389, DTXSID00441035, NZIHMSYSZRFUQJ-UHFFFAOYSA-N, 5-chlorobenzimidazole-2-carboxylic, ALBB-003800, 9355AF, BBL022605, SBB018695, STK502706, ZINC13821233, AKOS000321186, AKOS006223698, AB28483, ACN-049154, CC-1105, MCULE-5548041790, 5-chlorobenzimidazole-2-carboxylic acid, AJ-64426, ST087829, DB-069874, TR-043545, BB 0220346, BB 0259213, FT-0761093, Y5418, 1H-Benzimidazole-2-carboxylicacid, 6-chloro-, 11C148, C60077, Z-0210, 5-chloro-3H-1,3-benzodiazole-2-carboxylic acid, 6-chloro-1H-1,3-benzimidazole-2-carboxylic acid, 6-CHLORO-1H-1,3-BENZODIAZOLE-2-CARBOXYLIC ACID, 6-Chloro-1H-benzoimidazole-2-carboxylic acid, AldrichCPR, C8H5ClN2O2, CID10512110, T0974,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.59g/mol
Monoisotopic Mass	196.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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