2-(4-bromophenyl)-N-methylacetamide

• ChemBase ID: 311493
• Molecular Formular: C9H10BrNO
• Molecular Mass: 228.0858
• Monoisotopic Mass: 226.99457595
• SMILES: C(=O)(Cc1ccc(Br)cc1)NC
• Canonical SMILES: CNC(=O)Cc1ccc(cc1)Br
• InChI: InChI=1S/C9H10BrNO/c1-11-9(12)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,12)
• InChIKey: JCDMVJNUNZEZNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)-N-methylacetamide
• IUPAC Traditional name: 2-(4-bromophenyl)-N-methylacetamide
• Synonyms: 2-(4-bromophenyl)-N-methylacetamide

Database IDs

• CAS Number: 7713-76-0
• MDL Number: MFCD02577126

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7964802
• LogD (pH = 7.4): 1.7964802
• Log P: 1.7964802
• Molar Refractivity: 51.7073 cm^3
• Polarizability: 19.859228 Å^3
• Polar Surface Area: 29.1 Å^2