(E)-N-[(3-phenoxyphenyl)methylidene]hydroxylamine

• ChemBase ID: 250928
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: N(=C\c1cc(Oc2ccccc2)ccc1)/O
• Canonical SMILES: O/N=C/c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C13H11NO2/c15-14-10-11-5-4-8-13(9-11)16-12-6-2-1-3-7-12/h1-10,15H/b14-10+
• InChIKey: RBJVECPZAOPMNW-GXDHUFHOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[(3-phenoxyphenyl)methylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[(3-phenoxyphenyl)methylidene]hydroxylamine
• Synonyms: 3-phenoxybenzaldehyde oxime

Database IDs

• MDL Number: MFCD03410418
• PubChem SID: 164306838
• PubChem CID: 6904177

CALCULATED PROPERTIES

• Acid pKa: 7.9691124
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1937659
• LogD (pH = 7.4): 3.0923016
• Log P: 3.1955152
• Molar Refractivity: 62.7045 cm^3
• Polarizability: 23.906496 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.863

Product Information

• Purity: 95%