(2E)-N-(2-fluorophenyl)-2-(N-hydroxyimino)acetamide

• ChemBase ID: 58225
• Molecular Formular: C8H7FN2O2
• Molecular Mass: 182.1517832
• Monoisotopic Mass: 182.04915569
• SMILES: C(=O)(Nc1c(F)cccc1)/C=N/O
• Canonical SMILES: O/N=C/C(=O)Nc1ccccc1F
• InChI: InChI=1S/C8H7FN2O2/c9-6-3-1-2-4-7(6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+
• InChIKey: CTJRKAMDQGMILD-BJMVGYQFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N-(2-fluorophenyl)-2-(N-hydroxyimino)acetamide
• IUPAC Traditional name: (2E)-N-(2-fluorophenyl)-2-(N-hydroxyimino)acetamide
• Synonyms: (2E)-N-(2-Fluorophenyl)-2-(hydroxyimino)acetamide

Database IDs

• MDL Number: MFCD00209232
• PubChem SID: 162062988
• PubChem CID: 9584449

CALCULATED PROPERTIES

• Acid pKa: 5.2609367
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0191495
• LogD (pH = 7.4): -0.49102077
• Log P: 1.4528086
• Molar Refractivity: 45.8154 cm^3
• Polarizability: 16.402197 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false