chempirical

2-Bromo-4-fluorotoluene

C7H6BrFCAS 1422-53-3189.03 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
170–172 °C
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1422-53-3
SMILES
Cc1ccc(F)cc1Br
InChIKey
SFGFOJPGCOYQJK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 2-bromo-4-fluoro-1-methyl-
  • 1-Bromo-2-methyl-5-fluorobenzene
  • 1-Bromo-3-fluoro-6-methylbenzene
  • Toluene, 2-bromo-4-fluoro-
  • 2-Bromo-4-fluoro-1-methylbenzene
  • 4-Fluoro-2-bromotoluene

Work with 2-Bromo-4-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 Boiling point under vacuumAt any pressure, from its normal boiling point 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-4-fluoro-1-iodobenzene202865-73-457 % similar 2,4-Dibromo-1-methylbenzene31543-75-656 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 2,4-Difluoro-1-methylbenzene452-76-656 % similar Bromo-P-xylene553-94-656 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-754 % similar

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

Same formula

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 4-Bromo-3-fluorotoluene452-74-4 3-Fluorobenzyl bromide456-41-7 4-Fluorobenzyl bromide459-46-1

Elsewhere

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