2-amino-4-fluoro-6-methylphenol

• ChemBase ID: 294855
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: Cc1cc(F)cc(N)c1O
• Canonical SMILES: Fc1cc(C)c(c(c1)N)O
• InChI: InChI=1S/C7H8FNO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,9H2,1H3
• InChIKey: XCBLYMCBIHZTTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-fluoro-6-methylphenol
• IUPAC Traditional name: 2-amino-4-fluoro-6-methylphenol
• Synonyms: 2-Amino-4-fluoro-6-methylphenol

Database IDs

• CAS Number: 133788-81-5
• MDL Number: MFCD19214250
• PubChem SID: 180680386
• PubChem CID: 15675952

CALCULATED PROPERTIES

• Acid pKa: 10.386966
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4920241
• LogD (pH = 7.4): 1.4963654
• Log P: 1.4968779
• Molar Refractivity: 37.9969 cm^3
• Polarizability: 13.53985 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%