4-bromo-2,5-difluorobenzaldehyde

• ChemBase ID: 290332
• Molecular Formular: C7H3BrF2O
• Molecular Mass: 220.9989264
• Monoisotopic Mass: 219.93353316
• SMILES: Fc1cc(C=O)c(F)cc1Br
• Canonical SMILES: O=Cc1cc(F)c(cc1F)Br
• InChI: InChI=1S/C7H3BrF2O/c8-5-2-6(9)4(3-11)1-7(5)10/h1-3H
• InChIKey: PDRHYPUKWIHZMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,5-difluorobenzaldehyde
• IUPAC Traditional name: 4-bromo-2,5-difluorobenzaldehyde
• Synonyms: 4-Bromo-2,5-difluorobenzaldehyde

Database IDs

• CAS Number: 357405-75-5
• MDL Number: MFCD11847047
• PubChem SID: 180675863
• PubChem CID: 22489081

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7399046
• LogD (pH = 7.4): 2.7399046
• Log P: 2.7399046
• Molar Refractivity: 40.6976 cm^3
• Polarizability: 14.854963 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%