AG0038RY

37619-25-3 | Methyl 1,3-benzodiazole-4-carboxylate

AG0038RY

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CAS Number	37619-25-3
Catalog Number	AG0038RY(AGN-PC-0035H0)
Chemical Name	Methyl 1,3-benzodiazole-4-carboxylate
IUPAC Name	methyl 1H-benzimidazole-4-carboxylate
InChI	InChI=1S/C9H8N2O2/c1-13-9(12)6-3-2-4-7-8(6)11-5-10-7/h2-5H,1H3,(H,10,11)
InChI Key	UZMYAXZLWVFGBD-UHFFFAOYSA-N
MDL Number	MFCD09910212
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	N1=CNC2=C1C=CC=C2C(=O)OC
Synonyms	37619-25-3, methyl 1H-benzo[d]imidazole-4-carboxylate, methyl 1H-benzo[d]imidazole-7-carboxylate, 1H-Benzimidazole-4-carboxylic acid methyl ester, methyl 1h-benzimidazole-4-carboxylate, Methyl benzimidazole-7-carboxylic acid, Methyl 4-benzimidazolecarboxylate, Methyl ester1H-benzimidazole-7-carboxylic acid, 1H-Benzimidazole-7-carboxylicacid, methyl ester, 1H-Benzimidazole-4-carboxylic acid, methyl ester, zlchem 1138, PubChem23670, 4-methoxycarbonylbenzimidazole, SCHEMBL536589, CTK4H8507, KS-00000BVJ, MethylBenzimidazole-4-carboxylate, DTXSID50566262, ZLD0606, UZMYAXZLWVFGBD-UHFFFAOYSA-N, Methyl Benzimidazole-4-carboxylate, ANW-63594, MFCD09910212, ZINC26893335, methyl 3H-benzimidazole-4-carboxylate, AKOS006239554, AKOS015900987, ACN-000853, FS-3665, Methyl 1,3-benzodiazole-4-carboxylate, QC-5107, VI10204, AC-29673, AJ-82688, AK-79020, CJ-17517, SC-84037, SY031933, methyl 1H-1,3-benzodiazole-4-carboxylate, AB0058639, ST2419467, TC-152339, 4CH-014537, Benzimidazole-7-Carboxylic Acid Methyl Ester, CS-0007685, Z4672, MFCD09910212 (95%), B67431, M-9282, 1H-Benzimidazole-7-carboxylic acid, methyl ester, 1H-Benzoimidazole 4-carboxylic acid methyl ester, 1H-Benzoimidazole-4-carboxylic acid methyl ester, I14-15852, C9H8N2O2, 1H-Benzimidazole-4-carboxylicacid,methylester, ?Methyl 1H-benzo[d]imidazole-4-carboxylate, 1H-Benzimidazole-7-carboxylicacid,methylester, N/A,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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