chempirical

1-Bromo-2,3,4,5-tetrafluoro-6-nitrobenzene

C6BrF4NO2CAS 5580-83-6273.97 g/mol

Open in Covalent MOL file
ON+O−FFFFBr
HalogenNitroTertiary Amine

Properties

Molecular formula
C6BrF4NO2
Molar mass
273.97 g/mol
Exact mass
272.9049 Da
Boiling point
94 °C (at 20 Torr)
logP
2.91Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5580-83-6
SMILES
O=[N+]([O-])c1c(F)c(F)c(F)c(F)c1Br
InChIKey
DPFGSQSFQOMGPT-UHFFFAOYSA-N
InChI
InChI=1S/C6BrF4NO2/c7-1-2(8)3(9)4(10)5(11)6(1)12(13)14

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Names and synonyms

2 names
  • Benzene, 1-bromo-2,3,4,5-tetrafluoro-6-nitro-
  • Bromo-2,3,4,5-tetrafluoronitrobenzene

Work with 1-Bromo-2,3,4,5-tetrafluoro-6-nitrobenzene

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

Elsewhere

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