chempirical

2-Bromo-4-chloro-1-fluorobenzene

C6H3BrClFCAS 1996-30-1209.44 g/mol

Open in Covalent MOL file
FClBr
Aryl halide

Properties

Molecular formula
C6H3BrClF
Molar mass
209.44 g/mol
Exact mass
207.9091 Da
Boiling point
90 °C (at 30 Torr)
logP
3.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1996-30-1
SMILES
Fc1ccc(Cl)cc1Br
InChIKey
YFFUYGSLQXVHMB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-5-3-4(8)1-2-6(5)9/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 2-bromo-4-chloro-1-fluoro-
  • 4-Chloro-2-bromo-1-fluorobenzene
  • 2-Bromo-4-chlorofluorobenzene
  • 5-Chloro-2-fluorobromobenzene
  • 3-Bromo-1-chloro-4-fluorobenzene
  • 2-Fluoro-5-chlorobromobenzene

Work with 2-Bromo-4-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-Chloro-1,2-difluorobenzene696-02-660 % similar 2,4-Dichlorofluorobenzene1435-48-956 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 2,4-Dibromo-1-fluorobenzene1435-53-656 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 1-Bromo-2,5-dichloro-3-fluorobenzene202865-57-455 % similar 1,2-Dibromo-5-chloro-3-fluorobenzene208186-78-155 % similar 5-Chloro-2-fluoroaniline2106-05-052 % 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-1-chloro-4-fluorobenzene201849-15-2 4-Bromo-1-chloro-2-fluorobenzene60811-18-9 4-Bromo-2-chloro-1-fluorobenzene60811-21-4

Elsewhere

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