1,4-dichloro-2,3-dihydro-1H-indene

• ChemBase ID: 242394
• Molecular Formular: C9H8Cl2
• Molecular Mass: 187.06582
• Monoisotopic Mass: 186.00030562
• SMILES: c12c(C(CC1)Cl)cccc2Cl
• Canonical SMILES: ClC1CCc2c1cccc2Cl
• InChI: InChI=1S/C9H8Cl2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,9H,4-5H2
• InChIKey: GTUOVOUGJSMRBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-2,3-dihydro-1H-indene
• IUPAC Traditional name: 1,4-dichloro-2,3-dihydro-1H-indene
• Synonyms: 1,4-dichloro-2,3-dihydro-1H-indene

Database IDs

• MDL Number: MFCD11219558
• PubChem SID: 164298304
• PubChem CID: 61384810

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.708757
• LogD (pH = 7.4): 3.708757
• Log P: 3.708757
• Molar Refractivity: 48.3105 cm^3
• Polarizability: 18.733856 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.051

Product Information

• Purity: 95%