2-bromo-N-hydroxybenzamide

• ChemBase ID: 258581
• Molecular Formular: C7H6BrNO2
• Molecular Mass: 216.03204
• Monoisotopic Mass: 214.95819044
• SMILES: c1(C(=O)NO)c(Br)cccc1
• Canonical SMILES: ONC(=O)c1ccccc1Br
• InChI: InChI=1S/C7H6BrNO2/c8-6-4-2-1-3-5(6)7(10)9-11/h1-4,11H,(H,9,10)
• InChIKey: AZPGONYSPBZNAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-hydroxybenzamide
• IUPAC Traditional name: 2-bromo-N-hydroxybenzamide
• Synonyms: 2-bromo-N-hydroxybenzamide

Database IDs

• MDL Number: MFCD09940455
• PubChem SID: 164314491
• PubChem CID: 24701375

CALCULATED PROPERTIES

• Acid pKa: 9.437483
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5894072
• LogD (pH = 7.4): 1.585515
• Log P: 1.589457
• Molar Refractivity: 44.5238 cm^3
• Polarizability: 16.765434 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 0.4

Product Information

• Purity: 95%