N-(5-bromo-2-hydroxyphenyl)acetamide

• ChemBase ID: 797329
• Molecular Formular: C8H8BrNO2
• Molecular Mass: 230.05862
• Monoisotopic Mass: 228.9738405
• SMILES: CC(=O)Nc1c(ccc(c1)Br)O
• Canonical SMILES: CC(=O)Nc1cc(Br)ccc1O
• InChI: InChI=1S/C8H8BrNO2/c1-5(11)10-7-4-6(9)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)
• InChIKey: QNPOKHIASGOGJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-bromo-2-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-(5-bromo-2-hydroxyphenyl)acetamide
• Synonyms: N-(5-BroMo-2-hydroxyphenyl)acetaMide

Database IDs

• CAS Number: 107986-49-2

CALCULATED PROPERTIES

• Acid pKa: 8.35404
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6755402
• LogD (pH = 7.4): 1.6306866
• Log P: 1.6761435
• Molar Refractivity: 50.5247 cm^3
• Polarizability: 18.731865 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%