4-fluoro-N,2-dihydroxybenzamide

• ChemBase ID: 292662
• Molecular Formular: C7H6FNO3
• Molecular Mass: 171.1258432
• Monoisotopic Mass: 171.03317128
• SMILES: ONC(=O)c1c(O)cc(F)cc1
• Canonical SMILES: ONC(=O)c1ccc(cc1O)F
• InChI: InChI=1S/C7H6FNO3/c8-4-1-2-5(6(10)3-4)7(11)9-12/h1-3,10,12H,(H,9,11)
• InChIKey: GRAOFHOPBBESHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N,2-dihydroxybenzamide
• IUPAC Traditional name: 4-fluoro-N,2-dihydroxybenzamide
• Synonyms: 4-Fluoro-N,2-dihydroxybenzamide

Database IDs

• CAS Number: 1643-78-3
• PubChem SID: 180678193
• PubChem CID: 13441304

CALCULATED PROPERTIES

• Acid pKa: 7.0282025
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.297263
• LogD (pH = 7.4): 0.79149777
• Log P: 1.309841
• Molar Refractivity: 39.0983 cm^3
• Polarizability: 14.266489 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%