1-bromo-2,3-dichloro-4-fluorobenzene

• ChemBase ID: 97791
• Molecular Formular: C6H2BrCl2F
• Molecular Mass: 243.8884832
• Monoisotopic Mass: 241.87009564
• SMILES: Brc1c(c(c(cc1)F)Cl)Cl
• Canonical SMILES: Fc1ccc(c(c1Cl)Cl)Br
• InChI: InChI=1S/C6H2BrCl2F/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
• InChIKey: CBJHQGPVASQJFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2,3-dichloro-4-fluorobenzene
• IUPAC Traditional name: 1-bromo-2,3-dichloro-4-fluorobenzene
• Synonyms: 1-Bromo-2,3-dichloro-4-fluorobenzene; 2,3-Dichloro-4-fluorobromobenzene

Database IDs

• CAS Number: 1093092-14-8
• PubChem SID: 162084340
• PubChem CID: 50997827

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0927896
• LogD (pH = 7.4): 4.0927896
• Log P: 4.0927896
• Molar Refractivity: 43.5068 cm^3
• Polarizability: 17.020525 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive