4-fluoro-3-hydroxybenzaldehyde

• ChemBase ID: 288841
• Molecular Formular: C7H5FO2
• Molecular Mass: 140.1118032
• Monoisotopic Mass: 140.02735762
• SMILES: O=Cc1ccc(F)c(O)c1
• Canonical SMILES: O=Cc1ccc(c(c1)O)F
• InChI: InChI=1S/C7H5FO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H
• InChIKey: DOULGHINSFURSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-hydroxybenzaldehyde
• IUPAC Traditional name: 4-fluoro-3-hydroxybenzaldehyde
• Synonyms: 4-Fluoro-3-hydroxybenzaldehyde

Database IDs

• CAS Number: 103438-85-3
• MDL Number: MFCD11110190
• PubChem SID: 180674372
• PubChem CID: 587792

CALCULATED PROPERTIES

• Acid pKa: 7.8735323
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.523066
• LogD (pH = 7.4): 1.4002372
• Log P: 1.5248848
• Molar Refractivity: 34.8393 cm^3
• Polarizability: 12.56964 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%