chempirical

5-Bromo-1,3-difluoro-2-methylbenzene

C7H5BrF2CAS 179617-08-4207.02 g/mol

Open in Covalent MOL file
FBrF
Aryl halide

Properties

Molecular formula
C7H5BrF2
Molar mass
207.02 g/mol
Exact mass
205.9543 Da
logP
3.04Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
179617-08-4
SMILES
CC1=C(C=C(C=C1F)Br)F
InChIKey
NGINOAWMGMGBPJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF2/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3

Weigh it out

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Work with 5-Bromo-1,3-difluoro-2-methylbenzene

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

1,4-Dibromo-3,5-difluorobenzene128259-71-257 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-957 % similar 4-Bromo-2,6-difluoroanisole104197-14-052 % similar 4-Bromo-2-fluorotoluene51436-99-852 % similar 2,4,6-Tribromotoluene6320-40-750 % similar 1,2,5-Tribromo-3-fluorobenzene2839-37-448 % similar 1-Bromo-3,4-difluorobenzene348-61-848 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-446 % similar

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

Same formula

2,3-Difluorobenzyl bromide113211-94-2 3,5-Difluorobenzyl bromide141776-91-2 1-Bromo-2,4-difluoro-5-methylbenzene159277-47-1 1-Bromo-2,4-difluoro-3-methylbenzene221220-97-9 2,4-Difluorobenzyl bromide23915-07-3 2,5-Difluorobenzyl bromide85117-99-3 2,6-Difluorobenzyl bromide85118-00-9 3,4-Difluorobenzyl bromide85118-01-0

Elsewhere

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