6-bromo-3-chloro-2-fluorobenzaldehyde

• ChemBase ID: 289247
• Molecular Formular: C7H3BrClFO
• Molecular Mass: 237.4535232
• Monoisotopic Mass: 235.90398262
• SMILES: O=Cc1c(Br)ccc(Cl)c1F
• Canonical SMILES: O=Cc1c(Br)ccc(c1F)Cl
• InChI: InChI=1S/C7H3BrClFO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
• InChIKey: ILJCPNFAFWGTAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1114809-02-7
• MDL Number: MFCD11520661
• PubChem SID: 180674778
• PubChem CID: 56971740

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: 16.952806 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%