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

• ChemBase ID: 106973
• Molecular Formular: C9H8Cl2
• Molecular Mass: 187.06582
• Monoisotopic Mass: 186.00030562
• SMILES: ClC1Cc2ccccc2C1Cl
• Canonical SMILES: ClC1C(Cl)Cc2c1cccc2
• InChI: InChI=1S/C9H8Cl2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5H2
• InChIKey: ZIVBBZXNYVLXTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 74925-48-7
• PubChem SID: 162093435
• PubChem CID: 247602

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3844004
• LogD (pH = 7.4): 3.3844004
• Log P: 3.3844004
• Molar Refractivity: 47.9182 cm^3
• Polarizability: 18.689606 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202098

MP Biomedicals Rare Chemical collection