CAS Registry Number: 26663-77-4

Name:

1H-​Benzimidazole-​6-​carboxylic acid, methyl ester
1H-​Benzimidazole-​5-​carboxylic acid, methyl ester (9CI); 5-​Benzimidazolecarboxy​lic acid, methyl ester (8CI); 5-​(Methoxycarbonyl)​benzimidazole; Methyl 1H-​benzimidazole-​5-​carboxylate; Methyl 5-​benzimidazolecarboxy​late 

Chemical Formula: C9H8N2O2
Exact Mass: 176.06
Molecular Weight: 176.17
m/z: 176.06 (100.0%), 177.06 (10.6%)
Elemental Analysis: C, 61.36; H, 4.58; N, 15.90; O, 18.16

InChI: InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7-8(4-6)11-5-10-7/h2-5H,1H3,(H,10,11)
InChIKey: WJHHIVYNOVTVGY-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(C=C1)N=CN2

Specification

98%

1. (1) Mizuno, Cassia S.; Medicinal Chemistry Research 2009, V18(8), P611-628 CAPLUS
2. (2) Meyer, Emmanuel A.; Helvetica Chimica Acta 2006, V89(4), P573-597 CAPLUS