2-(4-bromophenyl)acetamide

• ChemBase ID: 236008
• Molecular Formular: C8H8BrNO
• Molecular Mass: 214.05922
• Monoisotopic Mass: 212.97892588
• SMILES: C(=O)(Cc1ccc(Br)cc1)N
• Canonical SMILES: NC(=O)Cc1ccc(cc1)Br
• InChI: InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: ZBARBHKSSXDLMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 74860-13-2
• MDL Number: MFCD00126843
• PubChem SID: 164291918
• PubChem CID: 256951

CALCULATED PROPERTIES

• Acid pKa: 15.013535
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5728041
• LogD (pH = 7.4): 1.5728041
• Log P: 1.5728041
• Molar Refractivity: 46.8106 cm^3
• Polarizability: 18.046469 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194 - 196°C
• Hydrophobicity(logP): 1.317

Product Information

• Purity: 95%