chempirical

2,5-Dibromonitrobenzene

C6H3Br2NO2CAS 3460-18-2280.90 g/mol

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

Properties

Molecular formula
C6H3Br2NO2
Molar mass
280.90 g/mol
Exact mass
278.8531 Da
Density
2.374 g/mL (at 16 °C)
Melting point
85.5 °C
logP
3.12Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
3460-18-2
SMILES
O=[N+]([O-])c1cc(Br)ccc1Br
InChIKey
WRGKKASJBOREMB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

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Names and synonyms

5 names
  • Benzene, 1,4-dibromo-2-nitro-
  • 1,4-Dibromo-2-nitrobenzene
  • 2,5-Dibromo-1-nitrobenzene
  • 2-Nitro-4-bromobenzene bromide
  • 2-Nitro-1,4-dibromobenzene

Work with 2,5-Dibromonitrobenzene

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

4-Bromo-1,2-dinitrobenzene610-38-872 % similar 1-Bromo-2,4-dinitrobenzene584-48-568 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-366 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-864 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-264 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-664 % similar 1-Bromo-4-methyl-2-nitrobenzene5326-34-164 % similar 4-Bromo-3-nitrobenzenamine53324-38-264 % similar

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

Same formula

2,5-Dibromo-3-pyridinecarboxylic acid29312-99-0

Elsewhere

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