2-fluoro-4-methoxyaniline hydrochloride

• ChemBase ID: 796323
• Molecular Formular: C7H9ClFNO
• Molecular Mass: 177.6038632
• Monoisotopic Mass: 177.03566981
• SMILES: Cl.Nc1c(cc(cc1)OC)F
• Canonical SMILES: COc1ccc(c(c1)F)N.Cl
• InChI: InChI=1S/C7H8FNO.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4H,9H2,1H3;1H
• InChIKey: WPOCEWUNBSYJIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methoxyaniline hydrochloride
• IUPAC Traditional name: 2-fluoro-4-methoxyaniline hydrochloride
• Synonyms: 2-Fluoro-4-Methoxyaniline hydrochloride

Database IDs

• CAS Number: 458-52-6; 874959-93-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1275802
• LogD (pH = 7.4): 1.1293283
• Log P: 1.1293505
• Molar Refractivity: 37.438 cm^3
• Polarizability: 13.678523 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%