chempirical

2-Bromo-1-fluoro-4-methylbenzene

C7H6BrFCAS 452-62-0189.03 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
174–177 °C (at 757 Torr)
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
452-62-0
SMILES
Cc1ccc(F)c(Br)c1
InChIKey
QLRKALMVPCQTMU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 2-bromo-1-fluoro-4-methyl-
  • Toluene, 3-bromo-4-fluoro-
  • 3-Bromo-4-fluorotoluene
  • 2-Fluoro-5-methyl-1-bromobenzene
  • 2-Fluoro-5-methylbromobenzene
  • NSC 88313
  • 1-Bromo-2-fluoro-5-methylbenzene
  • 5-Methyl-2-fluorobromobenzene

Work with 2-Bromo-1-fluoro-4-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

1,2-Dibromo-4-methylbenzene60956-23-260 % similar 2,4-Dibromo-1-fluorobenzene1435-53-656 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-354 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-152 % similar 1-Fluoro-2-iodo-4-methylbenzene452-82-452 % similar 2-Fluoro-5-methylaniline452-84-652 % similar 2-Bromo-1-chloro-4-methylbenzene57310-39-152 % 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-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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