2-Bromo-3,4,5,6-tetrafluoronitrobenzene

C₆BrF₄NO₂CAS 5580-83-6273.97 g/mol

Open in Covalent MOL file

Aryl halide Nitro

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Weigh it out

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Names and synonyms

3 names

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

Work with 2-Bromo-3,4,5,6-tetrafluoronitrobenzene

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

Pentafluoronitrobenzene880-78-471 % similar 1,2,3,5-Tetrafluoro-4-nitrobenzene314-41-050 % similar 2,3,4,5-Tetrafluoro-6-nitrobenzoic acid16583-08-749 % similar 1,2,4,5-Tetrafluoro-3-nitrobenzene6257-03-048 % similar 5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-245 % similar 4,7-Dibromo-5,6-dinitrobenzo[C][1,2,5]thiadiazole76186-72-645 % similar 2,5-Dibromo-3,4-dinitrothiophene52431-30-843 % similar 3-Bromo-2-fluoronitrobenzene58534-94-443 % similar

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

Elsewhere

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