chempirical

4-Bromo-1-chloro-2-fluorobenzene

C6H3BrClFCAS 60811-18-9209.44 g/mol

Open in Covalent MOL file
FBrCl
Aryl halide

Properties

Molecular formula
C6H3BrClF
Molar mass
209.44 g/mol
Exact mass
207.9091 Da
Boiling point
73 °C (at 9 Torr)
logP
3.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
60811-18-9
SMILES
Fc1cc(Br)ccc1Cl
InChIKey
AGYWDGVTLKNTBS-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-4-1-2-5(8)6(9)3-4/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzene, 4-bromo-1-chloro-2-fluoro-
  • 5-Bromo-2-chlorofluorobenzene
  • 2-Chloro-5-bromofluorobenzene
  • 1-Bromo-4-chloro-3-fluorobenzene
  • 4-Chloro-3-fluoro-1-bromobenzene
  • 1-Bromo-3-fluoro-4-chlorobenzene
  • 3-Fluoro-4-chlorobromobenzene
  • 5-Bromo-2-chloro-1-fluorobenzene

Work with 4-Bromo-1-chloro-2-fluorobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-1,2-dichlorobenzene18282-59-260 % similar 1-Bromo-3,4-difluorobenzene348-61-860 % similar 4-Chloro-3-fluorophenol348-60-757 % similar 1-Chloro-2,4-difluorobenzene1435-44-556 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-552 % similar 5-Bromo-2-chlorophenol183802-98-452 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-052 % similar 4-Bromo-2-fluorophenol2105-94-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-2-chloro-4-fluorobenzene110407-59-5 2-Bromo-4-chloro-1-fluorobenzene1996-30-1 2-Bromo-1-chloro-4-fluorobenzene201849-15-2 4-Bromo-2-chloro-1-fluorobenzene60811-21-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook