chempirical

1-Bromo-2,3,5-trifluorobenzene

C6H2BrF3CAS 133739-70-5210.98 g/mol

Open in Covalent MOL file
FFBrF
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
133739-70-5
SMILES
C1=C(C=C(C(=C1F)F)Br)F
InChIKey
XSMLLZPSNLQCQU-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H

Weigh it out

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

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

1,3-Dibromo-2,5-difluorobenzene128259-68-773 % similar 1,2-Dibromo-3,5-difluorobenzene10105-60-968 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-368 % similar 1,2,3,5-Tetrafluorobenzene2367-82-064 % similar 1-Bromo-2,3,4,5-tetrafluorobenzene1074-91-560 % similar 2-Bromo-4,6-difluorobenzenamine444-14-457 % similar 3-Bromo-4,5-difluorobenzenamine875664-41-857 % similar 2-Bromo-4,6-difluorophenol98130-56-457 % similar

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

Same formula

5-Bromo-1,2,3-trifluorobenzene138526-69-9 2-Bromo-1,3,5-trifluorobenzene2367-76-2 1-Bromo-2,4,5-trifluorobenzene327-52-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook