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

• ChemBase ID: 242238
• Molecular Formular: C9H8BrCl
• Molecular Mass: 231.51682
• Monoisotopic Mass: 229.94978994
• SMILES: c12c(C(CC1)Cl)cccc2Br
• Canonical SMILES: ClC1CCc2c1cccc2Br
• InChI: InChI=1S/C9H8BrCl/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9H,4-5H2
• InChIKey: NRJRPZZLWBIXEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11219560
• PubChem SID: 164298148
• PubChem CID: 57835835

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8734648
• LogD (pH = 7.4): 3.8734648
• Log P: 3.8734648
• Molar Refractivity: 51.1285 cm^3
• Polarizability: 19.677677 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.201

Product Information

• Purity: 95%