2-chloro-6-fluoro-N-hydroxybenzamide

• ChemBase ID: 270394
• Molecular Formular: C7H5ClFNO2
• Molecular Mass: 189.5715032
• Monoisotopic Mass: 188.99928431
• SMILES: c1(C(=O)NO)c(F)cccc1Cl
• Canonical SMILES: ONC(=O)c1c(F)cccc1Cl
• InChI: InChI=1S/C7H5ClFNO2/c8-4-2-1-3-5(9)6(4)7(11)10-12/h1-3,12H,(H,10,11)
• InChIKey: PAKIOYAFKPVVRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluoro-N-hydroxybenzamide
• IUPAC Traditional name: 2-chloro-6-fluoro-N-hydroxybenzamide
• Synonyms: 2-chloro-6-fluoro-N-hydroxybenzamide

Database IDs

• MDL Number: MFCD09941079
• PubChem SID: 164326304
• PubChem CID: 24701959

CALCULATED PROPERTIES

• Acid pKa: 8.447117
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5670034
• LogD (pH = 7.4): 1.5335104
• Log P: 1.567451
• Molar Refractivity: 41.9222 cm^3
• Polarizability: 15.568636 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.143

Product Information

• Purity: 95%