N-[(4-fluorophenyl)methyl]hydroxylamine

• ChemBase ID: 244761
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: c1(F)ccc(cc1)CNO
• Canonical SMILES: ONCc1ccc(cc1)F
• InChI: InChI=1S/C7H8FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9-10H,5H2
• InChIKey: OERSFCWDCVETCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]hydroxylamine
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]hydroxylamine
• Synonyms: N-[(4-fluorophenyl)methyl]hydroxylamine

Database IDs

• MDL Number: MFCD22741242
• PubChem SID: 164300671
• PubChem CID: 14157467

CALCULATED PROPERTIES

• Acid pKa: 16.122654
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3343924
• LogD (pH = 7.4): 1.3501501
• Log P: 1.3503548
• Molar Refractivity: 47.0052 cm^3
• Polarizability: 13.987534 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 0.807

Product Information

• Purity: 95%