N-(4-fluorophenyl)-2-(N-hydroxyimino)acetamide

• ChemBase ID: 97039
• Molecular Formular: C8H7FN2O2
• Molecular Mass: 182.1517832
• Monoisotopic Mass: 182.04915569
• SMILES: N(c1ccc(cc1)F)C(=O)/C=N/O
• Canonical SMILES: O/N=C/C(=O)Nc1ccc(cc1)F
• InChI: InChI=1S/C8H7FN2O2/c9-6-1-3-7(4-2-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)
• InChIKey: DXSBFTGUEOWLSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-2-(N-hydroxyimino)acetamide; (2E)-N-(4-fluorophenyl)-2-(N-hydroxyimino)acetamide
• IUPAC Traditional name: N-(4-fluorophenyl)-2-(N-hydroxyimino)acetamide; (2E)-N-(4-fluorophenyl)-2-(N-hydroxyimino)acetamide
• Synonyms: 4-Fluoro-N-{[(hydroxyimino)methyl]carbonyl}aniline; N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide 99%; N-(4-fluorophenyl)-2-(hydroxyimino)acetamide

Database IDs

• CAS Number: 351-09-7
• MDL Number: MFCD00462280
• PubChem SID: 162083666
• PubChem CID: 6869015

CALCULATED PROPERTIES

• Acid pKa: 5.2773576
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0293754
• LogD (pH = 7.4): -0.4806721
• Log P: 1.4528086
• Molar Refractivity: 45.8154 cm^3
• Polarizability: 16.401228 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162°C
• Hydrophobicity(logP): 0.738

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%