3-bromo-6-chloro-2-fluorobenzaldehyde

• ChemBase ID: 180437
• Molecular Formular: C7H3BrClFO
• Molecular Mass: 237.4535232
• Monoisotopic Mass: 235.90398262
• SMILES: C(=O)c1c(c(ccc1Cl)Br)F
• Canonical SMILES: O=Cc1c(Cl)ccc(c1F)Br
• InChI: InChI=1S/C7H3BrClFO/c8-5-1-2-6(9)4(3-11)7(5)10/h1-3H
• InChIKey: WFFSWRXTSBYYKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloro-2-fluorobenzaldehyde
• IUPAC Traditional name: 3-bromo-6-chloro-2-fluorobenzaldehyde
• Synonyms: 3-Bromo-6-chloro-2-fluorobenzaldehyde

Database IDs

• CAS Number: 886615-30-1
• PubChem SID: 164236347
• PubChem CID: 59299457

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: 16.947727 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true