chempirical

2-Bromo-5-fluorotoluene

C7H6BrFCAS 452-63-1189.03 g/mol

Open in Covalent MOL file
FBr
Aryl halide

Properties

Molecular formula
C7H6BrF
Molar mass
189.03 g/mol
Exact mass
187.9637 Da
Boiling point
177 °C (at 756 Torr)
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
452-63-1
SMILES
Cc1cc(F)ccc1Br
InChIKey
RJPNVPITBYXBNB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-bromo-4-fluoro-2-methyl-
  • 1-Bromo-4-fluoro-2-methylbenzene
  • 6-Bromo-3-fluorotoluene
  • 5-Fluoro-2-bromotoluene
  • NSC 88287
  • 4-Fluoro-2-methyl-1-bromobenzene
  • 2-Methyl-4-fluorobromobenzene
  • 4-Fluoro-2-methylphenyl bromide
  • 4-Bromo-3-methyl-1-fluorobenzene

Work with 2-Bromo-5-fluorotoluene

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-Dibromo-4-fluorobenzene2369-37-160 % similar 4-Fluoro-1,2-dimethylbenzene452-64-260 % similar 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-658 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 1,4-Difluoro-2-methylbenzene452-67-556 % similar 1-Bromo-2,4-dimethylbenzene583-70-056 % similar 2,5-Dibromotoluene615-59-856 % similar 4-Fluoro-1-iodo-2-methylbenzene66256-28-854 % similar

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

Same formula

2-Bromo-4-fluorotoluene1422-53-3 1-Bromo-3-fluoro-2-methylbenzene1422-54-4 1-Bromo-3-fluoro-5-methylbenzene202865-83-6 2-Fluorobenzyl bromide446-48-0 2-Bromo-1-fluoro-4-methylbenzene452-62-0 4-Bromo-3-fluorotoluene452-74-4 3-Fluorobenzyl bromide456-41-7 4-Fluorobenzyl bromide459-46-1

Elsewhere

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