(2E)-N-(3-fluorophenyl)-2-(N-hydroxyimino)acetamide

• ChemBase ID: 250462
• Molecular Formular: C8H7FN2O2
• Molecular Mass: 182.1517832
• Monoisotopic Mass: 182.04915569
• SMILES: C(=O)(/C=N/O)Nc1cc(F)ccc1
• Canonical SMILES: O/N=C/C(=O)Nc1cccc(c1)F
• InChI: InChI=1S/C8H7FN2O2/c9-6-2-1-3-7(4-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+
• InChIKey: RRBDCMDWXUILBY-BJMVGYQFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N-(3-fluorophenyl)-2-(N-hydroxyimino)acetamide
• IUPAC Traditional name: (2E)-N-(3-fluorophenyl)-2-(N-hydroxyimino)acetamide
• Synonyms: (2E)-N-(3-fluorophenyl)-2-(hydroxyimino)acetamide

Database IDs

• CAS Number: 350-78-7
• MDL Number: MFCD00462279
• PubChem SID: 164306372
• PubChem CID: 9603589

CALCULATED PROPERTIES

• Acid pKa: 5.278372
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0300025
• LogD (pH = 7.4): -0.4800281
• Log P: 1.4528086
• Molar Refractivity: 45.8154 cm^3
• Polarizability: 16.401606 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.738

Product Information

• Purity: 95%