3-Bromo-5-chloro-6-(trifluoromethyl)-1H-indole

• Catalog: OFC1186404589
• CAS: 1186404-58-9
• Category: Fluorinated Indoles
• MDL Number: MFCD12827786

• IUPAC Name: 3-bromo-5-chloro-6-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H4BrClF3N/c10-6-3-15-8-2-5(9(12,13)14)7(11)1-4(6)8/h1-3,15H
• InChI Key: WHKBHMBUQBSAGB-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1Cl)C(F)(F)F)NC=C2Br

• Molecular Formula: C9H4BrClF3N
• Molecular Weight: 298.49
• Melting Point: 89-91 °C

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 296.91677 g/mol
• Monoisotopic Mass: 296.91677 g/mol
• Topological Polar Surface Area: 15.8Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 248