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

• Catalog: OFC1423757770
• CAS: 1423757-77-0
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole-3-carboxaldehyde, 5-bromo-6-(trifluoromethyl)-
• MDL Number: MFCD23136030

• IUPAC Name: 5-bromo-6-(trifluoromethyl)-1H-indole-3-carbaldehyde
• InChI: InChI=1S/C10H5BrF3NO/c11-8-1-6-5(4-16)3-15-9(6)2-7(8)10(12,13)14/h1-4,15H
• InChI Key: FGNITOSPWGXEDS-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1Br)C(F)(F)F)NC=C2C=O
• EC Number: 939-276-0

• Molecular Formula: C10H5BrF3NO
• Molecular Weight: 292.05
• Melting Point: 272-275 °C

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 290.95066 g/mol
• Monoisotopic Mass: 290.95066 g/mol
• Topological Polar Surface Area: 32.9Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 284