(5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone

• ChemBase ID: 795869
• Molecular Formular: C15H12BrClO2
• Molecular Mass: 339.61158
• Monoisotopic Mass: 337.9709193
• SMILES: C(=O)(c1ccc(cc1)OCC)c1c(ccc(c1)Br)Cl
• Canonical SMILES: CCOc1ccc(cc1)C(=O)c1cc(Br)ccc1Cl
• InChI: InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
• InChIKey: OEURLNJEQCLGPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
• IUPAC Traditional name: (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
• Synonyms: (5-BroMo-2-chlorophenyl)(4-ethoxyphenyl)Methanone

Database IDs

• CAS Number: 461432-22-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.004533
• LogD (pH = 7.4): 5.004533
• Log P: 5.004533
• Molar Refractivity: 80.2729 cm^3
• Polarizability: 30.986425 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%