AG00FD42

67792-82-9 | 2-(1H-IMIDAZOL-2-YL)-BENZOIC ACID

AG00FD42

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CAS Number	67792-82-9
Catalog Number	AG00FD42(AGN-PC-015OXU)
Chemical Name	2-(1H-IMIDAZOL-2-YL)-BENZOIC ACID
IUPAC Name	2-(1H-imidazol-2-yl)benzoic acid
InChI	InChI=1S/C10H8N2O2/c13-10(14)8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H,(H,11,12)(H,13,14)
InChI Key	FUEMPHNPKCZCQE-UHFFFAOYSA-N
MDL Number	MFCD08668828
Molecular Formula	C10H8N2O2
Molecular Weight	188.1827
SMILES	OC(=O)C1=C(C=CC=C1)C1=NC=CN1
Synonyms	2-(1H-imidazol-2-yl)benzoic acid, 67792-82-9, 2-(1h-imidazol-2-yl)-benzoic acid, 2-imidazol-2-ylbenzoic acid, SCHEMBL297622, CHEMBL556097, CTK2F2688, DTXSID90587976, FUEMPHNPKCZCQE-UHFFFAOYSA-N, 2-(2-Carboxyphenyl)-1H-imidazole, ALBB-004340, 0444AC, ANW-71318, MFCD08668828, SBB018523, STK503121, ZINC14987585, Benzoicacid,2-(1H-imidazol-2-yl)-, AKOS005171262, Benzoicacid, 2-(1H-imidazol-2-yl)-, MCULE-8966003054, Benzoic acid, 2-(1H-imidazol-2-yl)-, AJ-66598, DA-04393, ST087784, AB1008779, TR-022747, FT-0679012, 2-(1H-Imidazol-2-yl)benzoic acid, AldrichCPR, L-1145, I01-12587, Z2418194152, null, 2-imidazolylbenzoic acid, 2- -BENZOICACID, C10H8N2O2, 1-(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.186g/mol
Monoisotopic Mass	188.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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