chempirical

4-Bromo-1,2-dinitrobenzene

C6H3BrN2O4CAS 610-38-8247.00 g/mol

Open in Covalent MOL file
ON+O−BrN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H3BrN2O4
Molar mass
247.00 g/mol
Exact mass
245.9276 Da
Melting point
59–59.5 °C
logP
2.27Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
610-38-8
SMILES
O=[N+]([O-])c1ccc(Br)cc1[N+](=O)[O-]
InChIKey
XNXZZFQZGVFMAN-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H

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Names and synonyms

3 names
  • Benzene, 4-bromo-1,2-dinitro-
  • 3,4-Dinitrobromobenzene
  • NSC 10252

Work with 4-Bromo-1,2-dinitrobenzene

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

2,5-Dibromonitrobenzene3460-18-272 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-868 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-268 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-368 % similar 4-Bromo-1-methyl-2-nitrobenzene60956-26-568 % similar 4-Bromo-2-nitrophenol7693-52-968 % similar 4-Bromo-2-nitroaniline875-51-468 % similar 5-Bromo-2-nitrobenzaldehyde20357-20-464 % similar

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

Same formula

1-Bromo-3,5-dinitrobenzene18242-39-2 1-Bromo-2,4-dinitrobenzene584-48-5

Elsewhere

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