2-(4-bromophenoxy)acetamide

• ChemBase ID: 143787
• Molecular Formular: C8H8BrNO2
• Molecular Mass: 230.05862
• Monoisotopic Mass: 228.9738405
• SMILES: c1cc(ccc1OCC(=O)N)Br
• Canonical SMILES: NC(=O)COc1ccc(cc1)Br
• InChI: InChI=1S/C8H8BrNO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: IFFIYLGFSQQYFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenoxy)acetamide
• IUPAC Traditional name: 2-(4-bromophenoxy)acetamide
• Synonyms: 2-(4-Bromophenoxy)acetamide; 2-(4-bromophenoxy)acetamide

Database IDs

• CAS Number: 35368-75-3
• MDL Number: MFCD00466099
• PubChem SID: 162238004
• PubChem CID: 302864

CALCULATED PROPERTIES

• Acid pKa: 14.349409
• 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: 18.805956 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H8BrNO2

DETAILS

Sigma Aldrich - CBR00191

Other Notes
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Legal Information
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