AG001MAM

150058-27-8 | 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-, methyl ester

AG001MAM

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CAS Number	150058-27-8
Catalog Number	AG001MAM(AGN-PC-07Y4KR)
Chemical Name	1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-, methyl ester
IUPAC Name	methyl 2-ethoxy-1H-benzimidazole-4-carboxylate
InChI	InChI=1S/C11H12N2O3/c1-3-16-11-12-8-6-4-5-7(9(8)13-11)10(14)15-2/h4-6H,3H2,1-2H3,(H,12,13)
InChI Key	MOPLKVMMSFGZIR-UHFFFAOYSA-N
MDL Number	MFCD14636510
Molecular Formula	C11H12N2O3
Molecular Weight	220.2246
SMILES	O=C(C1=C2C(N=C(OCC)N2)=CC=C1)OC
Synonyms	150058-27-8, Methyl 2-ethoxy-1H-benzo[d]imidazole-7-carboxylate, METHYL 2-ETHOXYBENZIMIDAZOLE-7-CARBOXYLATE, Methyl 2-ethoxy-1H-benzimidazole-4-carboxylate, Methyl 2-ethoxy-3H-benzo[d]imidazole-4-carboxylate, 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-, methyl ester, AK-88026, W-205700, 1H-Benzimidazole-4-carboxylic acid, 2-ethoxy-, methyl ester, methyl-2-ethoxybenzimidazole-7-carboxylate, SCHEMBL5271758, CTK8C1983, KS-00000QIN, 2-Ethoxy-3H-Benzimidazole-4-carboxylic acid methyl ester, DTXSID40576395, MOPLKVMMSFGZIR-UHFFFAOYSA-N, BCP09973, ANW-67572, MFCD20527216, ZINC44136285, AKOS015890395, AKOS025149881, RP05153, AC-29235, DS-18419, SC-95679, Methyl 2-ethoxybenzimidazole-4-carboxylate, AB0040039, AJ-109289, AX8237169, DB-010922, TC-156317, CS-0042042, FT-0658090, ST24047710, Y7591, 058M278, I01-6970, 2-Ethoxy-1H-benzimidazole-4-carboxylic Acid Methyl Ester, 2-ethoxy-3h-benzoimidazole-4-carboxylic acid methyl ester, C11H12N2O3, ACN-037220,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.085g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.228g/mol
Monoisotopic Mass	220.085g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

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