chempirical

1-Bromo-2,4-difluoro-5-nitrobenzene

C6H2BrF2NO2CAS 345-24-4237.99 g/mol

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

Properties

Molecular formula
C6H2BrF2NO2
Molar mass
237.99 g/mol
Exact mass
236.9237 Da
Boiling point
97 °C (at 5 Torr)
logP
2.64Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
345-24-4
SMILES
O=[N+]([O-])c1cc(Br)c(F)cc1F
InChIKey
OOUUWURPSUSDTD-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-bromo-2,4-difluoro-5-nitro-
  • 5-Bromo-2,4-difluoronitrobenzene
  • 2,4-Difluoro-5-nitrobromobenzene
  • NSC 10238
  • 1-Bromo-2,4-difluoronitrobenzene

Work with 1-Bromo-2,4-difluoro-5-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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