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

• Catalog: OFC1420537627
• CAS: 1420537-62-7
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole, 5-bromo-3-chloro-6-(trifluoromethyl)-
• MDL Number: MFCD22689147

• IUPAC Name: 5-bromo-3-chloro-6-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H4BrClF3N/c10-6-1-4-7(11)3-15-8(4)2-5(6)9(12,13)14/h1-3,15H
• InChI Key: SWTSRWZDZNHRAZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1Br)C(F)(F)F)NC=C2Cl
• EC Number: 939-345-5

• Molecular Formula: C9H4BrClF3N
• Molecular Weight: 298.49
• Melting Point: 88-91 °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