1-[4-bromanyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-bromanyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C12H6BrF3N4O2 MolecularWeight: 375.10085

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=N2)N3C=C(C=N3)C(=O)O)Br)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C2=C1NC(=N2)N3C=C(C=N3)C(=O)O)Br)C(F)(F)F

InChI

InChI=1S/C12H6BrF3N4O2/c13-7-1-6(12(14,15)16)2-8-9(7)19-11(18-8)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)