4-fluoro-3-methoxyaniline

• ChemBase ID: 11944
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: c1c(c(cc(c1)N)OC)F
• Canonical SMILES: COc1cc(N)ccc1F
• InChI: InChI=1S/C7H8FNO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
• InChIKey: XAACOEWSHBIFGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-methoxyaniline
• IUPAC Traditional name: 4-fluoro-3-methoxyaniline
• Synonyms: 4-Fluoro-3-methoxyaniline; 5-Amino-2-fluoroanisole; 4-Fluoro-m-anisidine

Database IDs

• CAS Number: 64465-53-8
• MDL Number: MFCD00665789
• PubChem SID: 160975251
• PubChem CID: 2774533

CALCULATED PROPERTIES

• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1256697
• LogD (pH = 7.4): 1.129304
• Log P: 1.1293505
• Molar Refractivity: 37.438 cm^3
• Polarizability: 13.678762 Å^3

PROPERTIES

Physical Property

• Melting Point: 66-68°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%