O-[(4-chlorophenyl)methyl]hydroxylamine

• ChemBase ID: 306767
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1(Cl)ccc(cc1)CON
• Canonical SMILES: NOCc1ccc(cc1)Cl
• InChI: InChI=1S/C7H8ClNO/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5,9H2
• InChIKey: GONDHKVGJCQJPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-[(4-chlorophenyl)methyl]hydroxylamine
• IUPAC Traditional name: O-[(4-chlorophenyl)methyl]hydroxylamine
• Synonyms: 1-[(aminooxy)methyl]-4-chlorobenzene

Database IDs

• CAS Number: 5555-51-1
• MDL Number: MFCD04230620

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9520221
• LogD (pH = 7.4): 1.9658036
• Log P: 1.9659821
• Molar Refractivity: 41.7484 cm^3
• Polarizability: 16.248238 Å^3
• Polar Surface Area: 35.25 Å^2