6-chloro-2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde

• ChemBase ID: 310504
• Molecular Formular: C9H6ClNO2
• Molecular Mass: 195.60244
• Monoisotopic Mass: 195.00870612
• SMILES: C1(=O)Nc2c(C1C=O)ccc(c2)Cl
• Canonical SMILES: O=CC1C(=O)Nc2c1ccc(c2)Cl
• InChI: InChI=1S/C9H6ClNO2/c10-5-1-2-6-7(4-12)9(13)11-8(6)3-5/h1-4,7H,(H,11,13)
• InChIKey: NSJARCFMEOANBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde
• IUPAC Traditional name: 6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
• Synonyms: 6-chloro-2-oxoindoline-3-carbaldehyde

Database IDs

• CAS Number: 52508-91-5
• MDL Number: MFCD08691732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9662745
• LogD (pH = 7.4): -0.60348076
• Log P: 1.2521574
• Molar Refractivity: 49.756 cm^3
• Polarizability: 18.319456 Å^3
• Polar Surface Area: 46.17 Å^2