1-bromo-2-(2-chloroethoxy)benzene

• ChemBase ID: 82739
• Molecular Formular: C8H8BrClO
• Molecular Mass: 235.50552
• Monoisotopic Mass: 233.94470456
• SMILES: Brc1ccccc1OCCCl
• Canonical SMILES: ClCCOc1ccccc1Br
• InChI: InChI=1S/C8H8BrClO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6H2
• InChIKey: YEYMDHVVRPPLSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(2-chloroethoxy)benzene
• IUPAC Traditional name: 1-bromo-2-(2-chloroethoxy)benzene
• Synonyms: 1-Bromo-2-(2-chloroethoxy)benzene

Database IDs

• CAS Number: 64010-12-4
• MDL Number: MFCD00068032
• PubChem SID: 162069858
• PubChem CID: 2779027

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.248817
• LogD (pH = 7.4): 3.248817
• Log P: 3.248817
• Molar Refractivity: 49.4873 cm^3
• Polarizability: 19.395681 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true