1-(2-bromoethyl)-3,5-dichlorobenzene

• ChemBase ID: 241908
• Molecular Formular: C8H7BrCl2
• Molecular Mass: 253.95118
• Monoisotopic Mass: 251.91081758
• SMILES: c1c(cc(cc1Cl)CCBr)Cl
• Canonical SMILES: BrCCc1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C8H7BrCl2/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2
• InChIKey: LJLBCAVZAJPFMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethyl)-3,5-dichlorobenzene
• IUPAC Traditional name: 1-(2-bromoethyl)-3,5-dichlorobenzene
• Synonyms: 1-(2-bromoethyl)-3,5-dichlorobenzene

Database IDs

• MDL Number: MFCD20432741
• PubChem SID: 164297818
• PubChem CID: 22929634

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.242734
• LogD (pH = 7.4): 4.242734
• Log P: 4.242734
• Molar Refractivity: 53.273 cm^3
• Polarizability: 20.490479 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.449

Product Information

• Purity: 95%