5-Bromo-2-chloro-1,3-difluorobenzene

C6H2BrClF2CAS 176673-72-6227.43 g/mol

Open in Covalent MOL file
FClFBr
Aryl halide

Properties

Molecular formula
C6H2BrClF2
Molar mass
227.43 g/mol
Exact mass
225.8996 Da
logP
3.38Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
176673-72-6
SMILES
C1=C(C=C(C(=C1F)Cl)F)Br
InChIKey
SWELJVAWQMCJLG-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H

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Names and synonyms

1 names
  • 4-Chloro-3,5-difluorobromobenzene

Work with 5-Bromo-2-chloro-1,3-difluorobenzene

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

1,5-Dibromo-2-chloro-3-fluorobenzene202925-04-075 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-257 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-957 % similar 1-Chloro-2,4,6-trifluorobenzene2106-40-357 % similar 4-Chloro-3,5-difluorophenol2268-03-354 % similar 4-Bromo-2,6-difluorophenol104197-13-952 % similar 5-Bromo-1,3-difluoro-2-iodobenzene160976-02-352 % similar 5-Bromo-1,3-difluoro-2-methylbenzene179617-08-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-chloro-4,6-diflorobenzene1020198-58-6 1-Bromo-3-chloro-2,4-difluorobenzene201849-13-0

Elsewhere

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