N-[furan-2-yl(phenyl)methylidene]hydroxylamine

• ChemBase ID: 235481
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: C(=N\O)(/c1occc1)\c1ccccc1
• Canonical SMILES: O/N=C(/c1ccco1)\c1ccccc1
• InChI: InChI=1S/C11H9NO2/c13-12-11(10-7-4-8-14-10)9-5-2-1-3-6-9/h1-8,13H
• InChIKey: QVTOATOPMUKDLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[furan-2-yl(phenyl)methylidene]hydroxylamine
• IUPAC Traditional name: N-[furan-2-yl(phenyl)methylidene]hydroxylamine
• Synonyms: N-[furan-2-yl(phenyl)methylidene]hydroxylamine

Database IDs

• MDL Number: MFCD00093276
• PubChem SID: 164291391
• PubChem CID: 5837094

CALCULATED PROPERTIES

• Acid pKa: 8.634912
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5020015
• LogD (pH = 7.4): 2.477854
• Log P: 2.5023253
• Molar Refractivity: 52.8461 cm^3
• Polarizability: 20.020132 Å^3
• Polar Surface Area: 45.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.376

Product Information

• Purity: 95%