7-fluoro-1H-indole-2-carbaldehyde

• ChemBase ID: 292828
• Molecular Formular: C9H6FNO
• Molecular Mass: 163.1484432
• Monoisotopic Mass: 163.04334204
• SMILES: Fc1cccc2c1[nH]c(C=O)c2
• Canonical SMILES: O=Cc1cc2c([nH]1)c(F)ccc2
• InChI: InChI=1S/C9H6FNO/c10-8-3-1-2-6-4-7(5-12)11-9(6)8/h1-5,11H
• InChIKey: ARYLBYAEMRIVKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1H-indole-2-carbaldehyde
• IUPAC Traditional name: 7-fluoro-1H-indole-2-carbaldehyde
• Synonyms: 7-Fluoro-1H-indole-2-carbaldehyde

Database IDs

• CAS Number: 1367930-66-2
• PubChem SID: 180678359
• PubChem CID: 70700970

CALCULATED PROPERTIES

• Molar Refractivity: 43.8224 cm^3
• Polarizability: 17.085718 Å^3
• Polar Surface Area: 32.86 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 11.1049595
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8472123
• LogD (pH = 7.4): 1.847138
• Log P: 1.8472133

PROPERTIES

Product Information

• Purity: 95+%