N-[(4-chlorophenyl)methylidene]hydroxylamine

• ChemBase ID: 795788
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: c1(ccc(cc1)Cl)C=NO
• Canonical SMILES: ON=Cc1ccc(cc1)Cl
• InChI: InChI=1S/C7H6ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H
• InChIKey: QKWBTCRVPQHOMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-chlorophenyl)methylidene]hydroxylamine
• IUPAC Traditional name: N-[(4-chlorophenyl)methylidene]hydroxylamine
• Synonyms: 4-Chlorobenzenecarbaldehyde oxiMe

Database IDs

• CAS Number: 3848-36-0

CALCULATED PROPERTIES

• Acid pKa: 7.619508
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2958975
• LogD (pH = 7.4): 2.0953286
• Log P: 2.2992725
• Molar Refractivity: 41.2685 cm^3
• Polarizability: 15.454244 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%