AG003RZE

5805-53-8 | Methyl 1H-benzo[d]imidazole-2-carboxylate

AG003RZE

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CAS Number	5805-53-8
Catalog Number	AG003RZE(AGN-PC-0JT64I)
Chemical Name	Methyl 1H-benzo[d]imidazole-2-carboxylate
IUPAC Name	methyl 1H-benzimidazole-2-carboxylate
InChI	InChI=1S/C9H8N2O2/c1-13-9(12)8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,10,11)
InChI Key	LKUBWDNDGBVKFK-UHFFFAOYSA-N
MDL Number	MFCD03413579
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(C1=NC2=CC=CC=C2N1)OC
Synonyms	5805-53-8, Methyl 1H-benzo[d]imidazole-2-carboxylate, Methyl benzimidazole-2-carboxylate, Methyl 1H-benzimidazole-2-carboxylate, BENZIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER, methyl 1H-1,3-benzodiazole-2-carboxylate, 1H-Benzimidazole-2-carboxylic acid methyl ester, 2-Benzimidazolecarboxylic acid, methyl ester, LKUBWDNDGBVKFK-UHFFFAOYSA-N, 1H-Benzimidazole-2-carboxylic acid, methyl ester, 1H-Benzoimidazole-2-carboxylic acid methyl ester, zlchem 1014, AC1LB53S, AC1Q43SM, 2-meth-oxycarbonylbenzimidazole, SCHEMBL1793179, CHEMBL3244844, CTK5A7793, Methyl 2-benzimidazolecarboxylate, MethylBenzimidazole-2-carboxylate, DTXSID70341891, ZLD0480, ACT02007, KS-00000BK2, ZINC2541022, ANW-46574, BBL100716, MFCD03413579, STL554510, AKOS005255338, CS-W022774, MCULE-8403797599, TRA0076072, Methyl 1H-benzimidazole-2-carboxylate #, AC-29375, AJ-39136, AK-86776, DS-18231, SC-12508, SY013022, AB0025640, DB-072410, TC-135319, FT-0694364, ST24025135, ST24038693, W7131, EN300-70808, MFCD03413579 (95%), 1H-Benzimidazole-2-carboxylic acid methylester, H57093, S-7879, X-4385, 1H-Benzimidazole-2-carboxylicacid methylester(9CI), 1H-Benzimidazole-2-carboxylicacid,methylester(9CI), Z276956278, 1H-BENZO[D]IMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER, Not Available, C9H8N2O2, CID576526, 1H-Benzimidazole-2-carboxylicacid,methylester, 2,5-Bis(morpholinomethyl)-1,4-phenylene diacetate, 1865-04-9,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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