4-Bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole-2-carboxylic acid

• Catalog: OFC827042604
• CAS: 827042-60-4
• Category: Fluorinated Benzimidazoles
• Synonyms: 1h-benzimidazole-2-carboxylic acid,7-bromo-5-(trifluoromethyl)-
• Purity: 97%
• MDL Number: MFCD27992454

• IUPAC Name: 4-bromo-6-(trifluoromethyl)-1H-benzimidazole-2-carboxylic acid
• InChI: InChI=1S/C9H4BrF3N2O2/c10-4-1-3(9(11,12)13)2-5-6(4)15-7(14-5)8(16)17/h1-2H,(H,14,15)(H,16,17)
• InChI Key: ZCHNAUFODSANHU-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC(=N2)C(=O)O)Br)C(F)(F)F

• Molecular Formula: C9H4BrF3N2O2
• Molecular Weight: 309.04

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 307.94082 g/mol
• Monoisotopic Mass: 307.94082 g/mol
• Topological Polar Surface Area: 66Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 326