5-Chloro-7-fluoro-1H-indole-3-carbaldehyde

• Catalog: OFC1227580100
• CAS: 1227580-10-0
• Category: Fluorinated Indoles
• Synonyms: 5-Chloro-7-fluoroindole-3-carboxaldehyde
• Purity: 98%
• MDL Number: MFCD16610360

• IUPAC Name: 5-chloro-7-fluoro-1H-indole-3-carbaldehyde
• InChI: InChI=1S/C9H5ClFNO/c10-6-1-7-5(4-13)3-12-9(7)8(11)2-6/h1-4,12H
• InChI Key: GUZPUEIRQNDYPF-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1C(=CN2)C=O)F)Cl

• Molecular Formula: C9H5ClFNO
• Molecular Weight: 197.59
• Storage: Inert atmosphere, 2-8 °C

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 197.0043696 g/mol
• Monoisotopic Mass: 197.0043696 g/mol
• Topological Polar Surface Area: 32.9Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 214