2-(4-bromophenyl)-N-hydroxyacetamide

• ChemBase ID: 262799
• Molecular Formular: C8H8BrNO2
• Molecular Mass: 230.05862
• Monoisotopic Mass: 228.9738405
• SMILES: C(=O)(NO)Cc1ccc(Br)cc1
• Canonical SMILES: ONC(=O)Cc1ccc(cc1)Br
• InChI: InChI=1S/C8H8BrNO2/c9-7-3-1-6(2-4-7)5-8(11)10-12/h1-4,12H,5H2,(H,10,11)
• InChIKey: ZAJVSALVNBYIDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09950055
• PubChem SID: 164318709
• PubChem CID: 24710293

CALCULATED PROPERTIES

• Acid pKa: 8.859259
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5694335
• LogD (pH = 7.4): 1.5548649
• Log P: 1.5696224
• Molar Refractivity: 48.5752 cm^3
• Polarizability: 18.753155 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.207

Product Information

• Purity: 95%