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2-(3-Nitrophenyl)-1H-Benzimidazole-6-Carboxylic Acid
[CAS# 180197-42-6]

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Identification
Name 2-(3-Nitrophenyl)-1H-Benzimidazole-6-Carboxylic Acid
Synonyms 1H-BENZIMIDAZOLE-6-CARBOXYLICACID, 2-(3-NITROPHENYL)-; 2-(3-nitrophenyl)-1H-1,3-benzodiazole-6-carboxylic acid; 2-(3-Nitro-phenyl)-3H-benzoimidazole-5-carboxylic acid
Molecular Structure CAS#: 180197-42-6, 2-(3-Nitrophenyl)-1H-Benzimidazole-6-Carboxylic Acid
Molecular Formula C14H9N3O4
Molecular Weight 283.24
CAS Registry Number 180197-42-6
SMILES [O-][N+](=O)c3cccc(c2nc1ccc(cc1n2)C(=O)O)c3
InChI 1S/C14H9N3O4/c18-14(19)9-4-5-11-12(7-9)16-13(15-11)8-2-1-3-10(6-8)17(20)21/h1-7H,(H,15,16)(H,18,19)
InChIKey SFXKPMUEOFVTTG-UHFFFAOYSA-N
Properties
Density 1.533g/cm3 (Cal.)
Boiling point 601.023°C at 760 mmHg (Cal.)
Flash point 317.287°C (Cal.)
Refractive index 1.742 (Cal.)
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