6-Bromo-2-trifluoromethyl-1H-indole

• Catalog: OFC1782390811
• CAS: 1782390-81-1
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole, 6-bromo-2-(trifluoromethyl)-
• MDL Number: MFCD30721252

• IUPAC Name: 6-bromo-2-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H5BrF3N/c10-6-2-1-5-3-8(9(11,12)13)14-7(5)4-6/h1-4,14H
• InChI Key: KSBHDTNUEBRGFF-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1Br)NC(=C2)C(F)(F)F

• Molecular Formula: C9H5BrF3N
• Molecular Weight: 264.04

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 262.95575 g/mol
• Monoisotopic Mass: 262.95575 g/mol
• Topological Polar Surface Area: 15.8Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219