2-(trifluoromethyl)-1H-1,3-benzodiazole-6-carboxylic acid

Compound number:
MolPort-000-006-444
CAS number: 82791-93-3
IUPAC:
2-(trifluoromethyl)-1H-1,3-benzodiazole-6-carboxylic acid
IUPAC traditional:
2-(trifluoromethyl)-3H-1,3-benzodiazole-5-carboxylic acid
SMILES:
OC(=O)c1ccc2nc([nH]c2c1)C(F)(F)F
InChI key:
KGOXEOVTUNSMPR-UHFFFAOYSA-N
Molecular formula:
C9H5F3N2O2
Molecular weight: 230.146

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Compound Identifiers
Compound number: MolPort-000-006-444
CAS number: 82791-93-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000011730760
MFCD01309785
MFCD01554219
2-(trifluoromethyl)-1H-benzimidazole-6-carboxylic acid
2-Trifluoromethyl-1H-benzoimidazole-5-carboxylic acid
2-Trifluoromethyl-3H-benzoimidazole-5-carboxylic acid

InChI
InChI: 1S/C9H5F3N2O2/c10-9(11,12)8-13-5-2-1-4(7(15)16)3-6(5)14-8/h1-3H,(H,13,14)(H,15,16)
InChI key: KGOXEOVTUNSMPR-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C9H5F3N2O2
Molecular weight: 230.146

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2019 MolPort, v3.11, release date 23-08-2019 16:00 (+0200). All rights reserved.
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