chempirical

2-Bromo-1-chloro-4-fluorobenzene

C6H3BrClFCAS 201849-15-2209.44 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
logP
3.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
201849-15-2
SMILES
Fc1ccc(Cl)c(Br)c1
InChIKey
FOCCSIJMXBTKHD-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-5-3-4(9)1-2-6(5)8/h1-3H

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Names and synonyms

6 names
  • Benzene, 2-bromo-1-chloro-4-fluoro-
  • 2-Chloro-5-fluorobromobenzene
  • 3-Bromo-4-chloro-1-fluorobenzene
  • 1-Bromo-2-chloro-5-fluorobenzene
  • 2-Chloro-5-fluoro-1-bromobenzene
  • (2-Chloro-5-fluorophenyl)bromide

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

1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 1,2-Dibromo-4-fluorobenzene2369-37-160 % similar 1-Chloro-2,4-difluorobenzene1435-44-556 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 2-Chloro-5-fluorophenol3827-49-454 % similar 1,3-Dibromo-2-chloro-5-fluorobenzene179897-90-652 % similar 2-Bromo-4-fluoroaniline1003-98-152 % 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 4-Bromo-1-chloro-2-fluorobenzene60811-18-9 4-Bromo-2-chloro-1-fluorobenzene60811-21-4

Elsewhere

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