2-bromo-4-chloro-6-fluorobenzaldehyde

• ChemBase ID: 294570
• Molecular Formular: C7H3BrClFO
• Molecular Mass: 237.4535232
• Monoisotopic Mass: 235.90398262
• SMILES: O=Cc1c(F)cc(Cl)cc1Br
• Canonical SMILES: O=Cc1c(F)cc(cc1Br)Cl
• InChI: InChI=1S/C7H3BrClFO/c8-6-1-4(9)2-7(10)5(6)3-11/h1-3H
• InChIKey: MHISGFZIXPJJRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-chloro-6-fluorobenzaldehyde
• IUPAC Traditional name: 2-bromo-4-chloro-6-fluorobenzaldehyde
• Synonyms: 2-Bromo-4-chloro-6-fluorobenzaldehyde

Database IDs

• CAS Number: 1135531-73-5
• MDL Number: MFCD12400895
• PubChem SID: 180680101
• PubChem CID: 70701183

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2012475
• LogD (pH = 7.4): 3.2012475
• Log P: 3.2012475
• Molar Refractivity: 45.286 cm^3
• Polarizability: 16.935547 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%