2-[3-(Methoxycarbonyl)phenyl]-1H-benzimidazole-6-carboxylic acid
[CAS# 904818-10-6]

Identification

• Name: 2-[3-(Methoxycarbonyl)phenyl]-1H-benzimidazole-6-carboxylic acid
• Synonyms: 2-(3-Methoxycarbonylphenyl)-1H-benzimidazole-5-carboxylicacid; 2-(3-Methoxycarbonyl-phenyl)-3H-benzoimidazole-5-carboxylic acid; 2-[3-(methoxycarbonyl)phenyl]-1H-1,3-benzodiazole-6-carboxylic acid
• Molecular Formula: C₁₆H₁₂N₂O₄
• Molecular Weight: 296.28
• CAS Registry Number: 904818-10-6
• SMILES: COC(=O)c1cccc(c1)c2[nH]c3cc(ccc3n2)C(=O)O
• InChI: 1S/C16H12N2O4/c1-22-16(21)11-4-2-3-9(7-11)14-17-12-6-5-10(15(19)20)8-13(12)18-14/h2-8H,1H3,(H,17,18)(H,19,20)
• InChIKey: WQKMJRRAMNMAOS-UHFFFAOYSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 590.475°C at 760 mmHg (Cal.)
• Flash point: 310.909°C (Cal.)
• Refractive index: 1.682 (Cal.)