chempirical

4-Bromo-1-fluoro-2-methylbenzene

C7H6BrFCAS 51437-00-4189.03 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
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
51437-00-4
SMILES
Cc1cc(Br)ccc1F
InChIKey
VXKYOKPNAXNAFU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

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Names and synonyms

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

Work with 4-Bromo-1-fluoro-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

4-Bromo-2-fluorotoluene51436-99-869 % similar 1-Bromo-3,4-difluorobenzene348-61-860 % similar 3-Iodo-4-fluorobromobenzene116272-41-457 % similar 4-Fluoro-3-methylphenol452-70-057 % similar 2,4-Dibromo-1-fluorobenzene1435-53-656 % similar 1,4-Difluoro-2-methylbenzene452-67-556 % similar 2,5-Dibromotoluene615-59-856 % similar 5-Bromo-2-iodotoluene116632-39-454 % 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 4-Bromo-3-fluorotoluene452-74-4 3-Fluorobenzyl bromide456-41-7

Elsewhere

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