chempirical

2-Bromo-1-chloro-4-nitrobenzene

C6H3BrClNO2CAS 16588-26-4236.45 g/mol

Open in Covalent MOL file
ON+O−ClBr
Aryl halideNitro

Properties

Molecular formula
C6H3BrClNO2
Molar mass
236.45 g/mol
Exact mass
234.9036 Da
Melting point
61 °C
Boiling point
100 °C (at 0.1 Torr)
logP
3.01Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
16588-26-4
SMILES
O=[N+]([O-])c1ccc(Cl)c(Br)c1
InChIKey
CGTVUAQWGSZCFH-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

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Names and synonyms

6 names
  • 2-Bromo-4-nitrochlorobenzene
  • 3-Bromo-4-chloro-1-nitrobenzene
  • 1-Chloro-2-bromo-4-nitrobenzene
  • 3-Bromo-4-chloronitrobenzene
  • Benzene, 2-bromo-1-chloro-4-nitro-
  • 1-Bromo-2-chloro-5-nitrobenzene

Work with 2-Bromo-1-chloro-4-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

Same formula

4-Bromo-1-chloro-2-nitrobenzene16588-24-2 1-Bromo-2-chloro-4-nitrobenzene29682-39-1 1-Bromo-2-chloro-3-nitrobenzene3970-37-4 1-Bromo-4-chloro-2-nitrobenzene41513-04-6

Elsewhere

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