chempirical

1-Bromo-3,5-difluorobenzene

C6H3BrF2CAS 461-96-1192.99 g/mol

Open in Covalent MOL file
FFBr
Aryl halide

Properties

Molecular formula
C6H3BrF2
Molar mass
192.99 g/mol
Exact mass
191.9386 Da
Density
1.676 g/mL (at 23 °C)
Boiling point
140 °C
logP
2.73Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
461-96-1
SMILES
Fc1cc(F)cc(Br)c1
InChIKey
JHLKSIOJYMGSMB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1-bromo-3,5-difluoro-
  • 3,5-Difluorobromobenzene
  • 3,5-Difluoro-1-bromobenzene
  • 5-Bromo-1,3-difluorobenzene
  • 3,5-Difluorophenyl bromide
  • 1,3-Difluoro-5-bromobenzene

Work with 1-Bromo-3,5-difluorobenzene

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

1,3-Dibromo-5-fluorobenzene1435-51-488 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-664 % similar 1,3,5-Trifluorobenzene372-38-360 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-658 % similar 1-Bromo-3-(bromomethyl)-5-fluorobenzene216755-57-658 % similar 1-Bromo-3-fluorobenzene1073-06-957 % similar 3-Bromo-5-fluorobenzonitrile179898-34-156 % similar (3-Bromo-5-fluorophenyl)methanol216755-56-556 % similar

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

Same formula

1-Bromo-2,4-difluorobenzene348-57-2 1-Bromo-3,4-difluorobenzene348-61-8 1-Bromo-2,3-difluorobenzene38573-88-5 1-Bromo-2,5-difluorobenzene399-94-0 2-Bromo-1,3-difluorobenzene64248-56-2

Elsewhere

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