(Z)-N-[(4-chlorophenyl)(cyclopropyl)methylidene]hydroxylamine

• ChemBase ID: 254388
• Molecular Formular: C10H10ClNO
• Molecular Mass: 195.6455
• Monoisotopic Mass: 195.04509163
• SMILES: C1(/C(=N/O)/c2ccc(cc2)Cl)CC1
• Canonical SMILES: O/N=C(\c1ccc(cc1)Cl)/C1CC1
• InChI: InChI=1S/C10H10ClNO/c11-9-5-3-8(4-6-9)10(12-13)7-1-2-7/h3-7,13H,1-2H2/b12-10-
• InChIKey: ZAWYKLRZLXIEGC-BENRWUELSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-[(4-chlorophenyl)(cyclopropyl)methylidene]hydroxylamine
• IUPAC Traditional name: (Z)-N-[(4-chlorophenyl)(cyclopropyl)methylidene]hydroxylamine
• Synonyms: (4-chlorophenyl)(cyclopropyl)methanone oxime

Database IDs

• MDL Number: MFCD09802160
• PubChem SID: 164310298
• PubChem CID: 5356571

CALCULATED PROPERTIES

• Acid pKa: 7.6390204
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9210172
• LogD (pH = 7.4): 2.7275045
• Log P: 2.9242141
• Molar Refractivity: 52.4865 cm^3
• Polarizability: 20.240152 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.418

Product Information

• Purity: 95%