2-(N-hydroxyimino)-N-(3-iodophenyl)acetamide

• ChemBase ID: 248337
• Molecular Formular: C8H7IN2O2
• Molecular Mass: 290.05785
• Monoisotopic Mass: 289.95522547
• SMILES: C(=O)(/C=N/O)Nc1cc(I)ccc1
• Canonical SMILES: O/N=C/C(=O)Nc1cccc(c1)I
• InChI: InChI=1S/C8H7IN2O2/c9-6-2-1-3-7(4-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)
• InChIKey: YPDDGDIDSNXLER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11055214
• PubChem SID: 164304247
• PubChem CID: 10637208

CALCULATED PROPERTIES

• Acid pKa: 5.2825212
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8188043
• LogD (pH = 7.4): 0.30885392
• Log P: 2.239051
• Molar Refractivity: 58.9615 cm^3
• Polarizability: 21.945583 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.718

Product Information

• Purity: 95%