(2E)-N-(2,4-difluorophenyl)-2-(N-hydroxyimino)acetamide

• ChemBase ID: 261733
• Molecular Formular: C8H6F2N2O2
• Molecular Mass: 200.1422464
• Monoisotopic Mass: 200.03973388
• SMILES: N(C(=O)/C=N/O)c1c(cc(cc1)F)F
• Canonical SMILES: O/N=C/C(=O)Nc1ccc(cc1F)F
• InChI: InChI=1S/C8H6F2N2O2/c9-5-1-2-7(6(10)3-5)12-8(13)4-11-14/h1-4,14H,(H,12,13)/b11-4+
• InChIKey: DIAMOYGBZASPQT-NYYWCZLTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N-(2,4-difluorophenyl)-2-(N-hydroxyimino)acetamide
• IUPAC Traditional name: (2E)-N-(2,4-difluorophenyl)-2-(N-hydroxyimino)acetamide
• Synonyms: N-(2,4-difluorophenyl)-2-(N-hydroxyimino)acetamide

Database IDs

• MDL Number: MFCD04111056
• PubChem SID: 164317643
• PubChem CID: 9566200

CALCULATED PROPERTIES

• Acid pKa: 4.6920476
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.73631424
• LogD (pH = 7.4): -0.6155864
• Log P: 1.5955105
• Molar Refractivity: 46.0318 cm^3
• Polarizability: 16.238344 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.881

Product Information

• Purity: 95%