3,5-dibromo-2-hydroxybenzamide

• ChemBase ID: 110608
• Molecular Formular: C7H5Br2NO2
• Molecular Mass: 294.9281
• Monoisotopic Mass: 292.86870241
• SMILES: NC(=O)c1cc(Br)cc(Br)c1O
• Canonical SMILES: Brc1cc(Br)c(c(c1)C(=O)N)O
• InChI: InChI=1S/C7H5Br2NO2/c8-3-1-4(7(10)12)6(11)5(9)2-3/h1-2,11H,(H2,10,12)
• InChIKey: UPLRPVGMEIBZLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-hydroxybenzamide
• IUPAC Traditional name: 3,5-dibromo-2-hydroxybenzamide
• Synonyms: 3,5-DIBROMOSALICYLAMIDE

Database IDs

• CAS Number: 17892-25-0
• PubChem SID: 162088956
• PubChem CID: 352428

CALCULATED PROPERTIES

• Acid pKa: 6.4417567
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.661218
• LogD (pH = 7.4): 1.7359655
• Log P: 2.7078261
• Molar Refractivity: 52.3629 cm^3
• Polarizability: 19.903433 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183°C

DETAILS

MP Biomedicals - 05215694

MP Biomedicals Rare Chemical collection