(2-amino-5-fluorophenyl)methanol

• ChemBase ID: 290487
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: OCc1cc(F)ccc1N
• Canonical SMILES: OCc1cc(F)ccc1N
• InChI: InChI=1S/C7H8FNO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4,9H2
• InChIKey: ZRAZJGBWNZUSGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-5-fluorophenyl)methanol
• IUPAC Traditional name: (2-amino-5-fluorophenyl)methanol
• Synonyms: (2-Amino-5-fluorophenyl)methanol

Database IDs

• CAS Number: 748805-85-8
• PubChem SID: 180676018
• PubChem CID: 21925621

CALCULATED PROPERTIES

• Acid pKa: 14.803778
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5186395
• LogD (pH = 7.4): 0.519659
• Log P: 0.51967204
• Molar Refractivity: 37.7907 cm^3
• Polarizability: 13.61939 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%