chempirical

5-Bromo-1,2,3-trifluorobenzene

C6H2BrF3CAS 138526-69-9210.98 g/mol

Open in Covalent MOL file
FBrFF
Aryl halide

Properties

Molecular formula
C6H2BrF3
Molar mass
210.98 g/mol
Exact mass
209.9292 Da
logP
2.87Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
138526-69-9
SMILES
Fc1cc(Br)cc(F)c1F
InChIKey
HKJCELUUIFFSIN-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H

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

Names and synonyms

7 names
  • Benzene, 5-bromo-1,2,3-trifluoro-
  • 3,4,5-Trifluoro-1-bromobenzene
  • 1-Bromo-3,4,5-trifluorobenzene
  • 3,4,5-Trifluorobromobenzene
  • 1,2,3-Trifluoro-5-bromobenzene
  • 3,4,5-Trifluorophenyl bromide
  • 4-Bromo-1,2,6-trifluorobenzene

Work with 5-Bromo-1,2,3-trifluorobenzene

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

5-Bromo-2,3-difluorophenol186590-26-167 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-262 % similar 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-059 % similar 1,2,5-Tribromo-3-fluorobenzene2839-37-458 % similar 4-Bromo-2,6-difluorophenol104197-13-957 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-255 % similar 1,2,3,5-Tetrafluorobenzene2367-82-052 % similar 1-Bromo-3,4-difluorobenzene348-61-852 % similar

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

Same formula

1-Bromo-2,3,5-trifluorobenzene133739-70-5 2-Bromo-1,3,5-trifluorobenzene2367-76-2 1-Bromo-2,4,5-trifluorobenzene327-52-6

Elsewhere

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