2-(3-bromophenyl)acetamide

• ChemBase ID: 807663
• Molecular Formular: C8H8BrNO
• Molecular Mass: 214.05922
• Monoisotopic Mass: 212.97892588
• SMILES: C(C(=O)N)c1cc(ccc1)Br
• Canonical SMILES: NC(=O)Cc1cccc(c1)Br
• InChI: InChI=1S/C8H8BrNO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: JEYSSRJRKIAJIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromophenyl)acetamide
• IUPAC Traditional name: 2-(3-bromophenyl)acetamide
• Synonyms: 2-(3-BROMOPHENYL)ACETAMIDE

Database IDs

• CAS Number: 60312-83-6

CALCULATED PROPERTIES

• Acid pKa: 15.013492
• 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: 18.046494 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%