(3-amino-2-fluorophenyl)methanol

• ChemBase ID: 67683
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: C(O)c1c(c(ccc1)N)F
• Canonical SMILES: OCc1cccc(c1F)N
• InChI: InChI=1S/C7H8FNO/c8-7-5(4-10)2-1-3-6(7)9/h1-3,10H,4,9H2
• InChIKey: DHBSPQXMPAFUKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-2-fluorophenyl)methanol
• IUPAC Traditional name: (3-amino-2-fluorophenyl)methanol
• Synonyms: (3-Amino-2-fluorophenyl)methanol

Database IDs

• CAS Number: 1051899-73-0
• MDL Number: MFCD11846488
• PubChem SID: 162033418
• PubChem CID: 53249229

CALCULATED PROPERTIES

• Acid pKa: 14.679545
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5194476
• LogD (pH = 7.4): 0.5196692
• Log P: 0.51967204
• Molar Refractivity: 37.7907 cm^3
• Polarizability: 13.620186 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%