1,4,6-trichloro-2,3-dihydro-1H-indene

• ChemBase ID: 242355
• Molecular Formular: C9H7Cl3
• Molecular Mass: 221.51088
• Monoisotopic Mass: 219.96133326
• SMILES: c12c(cc(cc1Cl)Cl)C(CC2)Cl
• Canonical SMILES: Clc1cc(Cl)c2c(c1)C(Cl)CC2
• InChI: InChI=1S/C9H7Cl3/c10-5-3-7-6(9(12)4-5)1-2-8(7)11/h3-4,8H,1-2H2
• InChIKey: QZOQWLZEVHEWLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4,6-trichloro-2,3-dihydro-1H-indene
• IUPAC Traditional name: 1,4,6-trichloro-2,3-dihydro-1H-indene
• Synonyms: 1,4,6-trichloro-2,3-dihydro-1H-indene

Database IDs

• MDL Number: MFCD11219573
• PubChem SID: 164298265
• PubChem CID: 61384808

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3128014
• LogD (pH = 7.4): 4.3128014
• Log P: 4.3128014
• Molar Refractivity: 53.1153 cm^3
• Polarizability: 20.65321 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.764

Product Information

• Purity: 95%