chempirical

4-Bromo-3-fluorotoluene

C7H6BrFCAS 452-74-4189.03 g/mol

Open in Covalent MOL file
BrF
Aryl halide

Properties

Molecular formula
C7H6BrF
Molar mass
189.03 g/mol
Exact mass
187.9637 Da
Boiling point
169 °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
452-74-4
SMILES
Cc1ccc(Br)c(F)c1
InChIKey
SLFNGVGRINFJLK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-bromo-2-fluoro-4-methyl-
  • Toluene, 4-bromo-3-fluoro-
  • 1-Bromo-2-fluoro-4-methylbenzene
  • 3-Fluoro-4-bromotoluene
  • 2-Fluoro-4-methyl-1-bromobenzene

Work with 4-Bromo-3-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-methylbenzene60956-23-260 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 1-Bromo-2,4-dimethylbenzene583-70-056 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 2-Fluoro-1-iodo-4-methylbenzene452-79-952 % similar 2-Fluoro-4-methylaniline452-80-252 % similar 2-Fluoro-4-methylphenol452-81-352 % similar 1-Chloro-2-fluoro-4-methylbenzene5527-94-652 % 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 2-Bromo-5-fluorotoluene452-63-1 3-Fluorobenzyl bromide456-41-7 4-Fluorobenzyl bromide459-46-1

Elsewhere

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