AG000RPX

1261269-06-0 | Benzoic acid, 3-(1-methyl-1H-imidazol-5-yl)-

AG000RPX

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CAS Number	1261269-06-0
Catalog Number	AG000RPX(AGN-PC-0WA767)
Chemical Name	Benzoic acid, 3-(1-methyl-1H-imidazol-5-yl)-
IUPAC Name	3-(3-methylimidazol-4-yl)benzoic acid
InChI	InChI=1S/C11H10N2O2/c1-13-7-12-6-10(13)8-3-2-4-9(5-8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key	CCTCZHDQSJKDGB-UHFFFAOYSA-N
MDL Number	MFCD18375276
Molecular Formula	C11H10N2O2
Molecular Weight	202.2093
SMILES	CN1C=NC=C1C2=CC(=CC=C2)C(=O)O
Synonyms	3-(1-Methyl-5-imidazolyl)benzoic acid, 1261269-06-0, 3-(1-Methyl-1H-imidazol-5-yl)benzoic acid, 3-(1-Methyl-5-imidazolyl)benzoicAcid, SCHEMBL17728960, KS-00000CNH, CCTCZHDQSJKDGB-UHFFFAOYSA-N, 5607AJ, MFCD18375276, ZINC90686614, AKOS022183906, TRA0056203, AS-32518, SY012407, AB0072596, AJ-129150, AX8269099, DB-062458, TC-307158, FT-0724780, 3-(3-METHYLIMIDAZOL-4-YL)BENZOIC ACID, Benzoic acid, 3-(1-methyl-1H-imidazol-5-yl)-, MFCD18375276 (95+%), C11H10N2O2, 158407-04-6,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.213g/mol
Monoisotopic Mass	202.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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