chempirical

4-Bromo-2-chloro-1-fluorobenzene

C6H3BrClFCAS 60811-21-4209.44 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
92 °C (at 35 Torr)
logP
3.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
60811-21-4
SMILES
Fc1ccc(Br)cc1Cl
InChIKey
CJTIWGBQCVYTQE-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 4-bromo-2-chloro-1-fluoro-
  • 3-Chloro-4-fluorobromobenzene
  • 4-Bromo-2-chlorofluorobenzene
  • 1-Bromo-3-chloro-4-fluorobenzene
  • 5-Bromo-2-fluorochlorobenzene
  • 1-Bromo-4-Fluoro-3-chlorobenzene
  • 3-Chloro-4-fluorophenyl bromide

Work with 4-Bromo-2-chloro-1-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 3-Chloro-4-fluorophenol2613-23-257 % similar 2,4-Dichlorofluorobenzene1435-48-956 % similar 2,4-Dibromo-1-fluorobenzene1435-53-656 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-354 % similar 4-Bromo-2-chlorophenol3964-56-554 % similar 5-Bromo-1,3-dichloro-2-fluorobenzene17318-08-052 % similar

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

Same formula

1-Bromo-2-chloro-4-fluorobenzene110407-59-5 1-Bromo-3-chloro-2-fluorobenzene144584-65-6 2-Bromo-4-chloro-1-fluorobenzene1996-30-1 2-Bromo-1-chloro-4-fluorobenzene201849-15-2 4-Bromo-1-chloro-2-fluorobenzene60811-18-9

Elsewhere

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