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

• ChemBase ID: 266125
• Molecular Formular: C8H6ClFN2O2
• Molecular Mass: 216.5968432
• Monoisotopic Mass: 216.01018334
• SMILES: N(C(=O)/C=N/O)c1c(cc(cc1)F)Cl
• Canonical SMILES: O/N=C/C(=O)Nc1ccc(cc1Cl)F
• InChI: InChI=1S/C8H6ClFN2O2/c9-6-3-5(10)1-2-7(6)12-8(13)4-11-14/h1-4,14H,(H,12,13)/b11-4+
• InChIKey: CVGKCVIPUVTREY-NYYWCZLTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N-(2-chloro-4-fluorophenyl)-2-(N-hydroxyimino)acetamide
• IUPAC Traditional name: (2E)-N-(2-chloro-4-fluorophenyl)-2-(N-hydroxyimino)acetamide
• Synonyms: N-(2-chloro-4-fluorophenyl)-2-(N-hydroxyimino)acetamide

Database IDs

• MDL Number: MFCD15209595
• PubChem SID: 164322035
• PubChem CID: 22612791

CALCULATED PROPERTIES

• Polarizability: 18.384962 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 4.727027
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2268735
• LogD (pH = 7.4): -0.14288732
• Log P: 2.0568533
• Molar Refractivity: 50.6202 cm^3

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 1.451

Product Information

• Purity: 95%