chempirical

1-Bromo-3-chloro-2,4-difluorobenzene

C6H2BrClF2CAS 201849-13-0227.43 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

Identifiers

CAS number
201849-13-0
SMILES
C1=CC(=C(C(=C1F)Cl)F)Br
InChIKey
LVPMWOPCTHLVRH-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrClF2/c7-3-1-2-4(9)5(8)6(3)10/h1-2H

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Work with 1-Bromo-3-chloro-2,4-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-Bromo-2,3,4-trifluorobenzene176317-02-562 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-357 % similar 1-Bromo-2,3-difluorobenzene38573-88-556 % similar 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-555 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-954 % similar 1-Bromo-2,4-difluoro-3-methylbenzene221220-97-953 % similar 4-Bromo-3-chloro-2-fluoroaniline115843-99-750 % similar 3-Chloro-2,4-difluorobenzaldehyde127675-46-148 % similar

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

Same formula

1-Bromo-2-chloro-4,6-diflorobenzene1020198-58-6 5-Bromo-2-chloro-1,3-difluorobenzene176673-72-6

Elsewhere

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