2-(3-bromophenoxy)acetamide

• ChemBase ID: 312673
• Molecular Formular: C8H8BrNO2
• Molecular Mass: 230.05862
• Monoisotopic Mass: 228.9738405
• SMILES: C(=O)(COc1cc(Br)ccc1)N
• Canonical SMILES: NC(=O)COc1cccc(c1)Br
• InChI: InChI=1S/C8H8BrNO2/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: STBGWLWAHXTFMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromophenoxy)acetamide
• IUPAC Traditional name: 2-(3-bromophenoxy)acetamide
• Synonyms: 2-(3-bromophenoxy)acetamide

Database IDs

• CAS Number: 214210-03-4
• MDL Number: MFCD08550325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2553679
• LogD (pH = 7.4): 1.2553679
• Log P: 1.2553679
• Molar Refractivity: 48.0508 cm^3
• Polarizability: 18.806261 Å^3
• Polar Surface Area: 52.32 Å^2