2-fluoro-3-hydroxybenzaldehyde

• ChemBase ID: 815560
• Molecular Formular: C7H5FO2
• Molecular Mass: 140.1118032
• Monoisotopic Mass: 140.02735762
• SMILES: c1(c(c(ccc1)O)F)C=O
• Canonical SMILES: O=Cc1cccc(c1F)O
• InChI: InChI=1S/C7H5FO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H
• InChIKey: JHPNLGYUKQTWHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-hydroxybenzaldehyde
• IUPAC Traditional name: 2-fluoro-3-hydroxybenzaldehyde
• Synonyms: 2-fluoro-3-hydroxybenzaldehyde

Database IDs

• CAS Number: 103438-86-4

CALCULATED PROPERTIES

• Acid pKa: 7.983868
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5234733
• LogD (pH = 7.4): 1.4251828
• Log P: 1.5248848
• Molar Refractivity: 34.8393 cm^3
• Polarizability: 12.571677 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%