1-chloro-2,3-dihydro-1H-indene

• ChemBase ID: 294030
• Molecular Formular: C9H9Cl
• Molecular Mass: 152.62076
• Monoisotopic Mass: 152.03927797
• SMILES: ClC1CCc2c1cccc2
• Canonical SMILES: ClC1CCc2c1cccc2
• InChI: InChI=1S/C9H9Cl/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2
• InChIKey: WLJXUWKOEVKMGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2,3-dihydro-1H-indene
• IUPAC Traditional name: 1-chloro-2,3-dihydro-1H-indene
• Synonyms: 1-Chloro-2,3-dihydro-1H-indene

Database IDs

• CAS Number: 35275-62-8
• MDL Number: MFCD09608063
• PubChem SID: 180679561
• PubChem CID: 94465

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1047122
• LogD (pH = 7.4): 3.1047122
• Log P: 3.1047122
• Molar Refractivity: 43.5057 cm^3
• Polarizability: 16.858007 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%