chempirical

1,3-Dichloro-4,6-dinitrobenzene

C6H2Cl2N2O4CAS 3698-83-7236.99 g/mol

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

Properties

Molecular formula
C6H2Cl2N2O4
Molar mass
236.99 g/mol
Exact mass
235.9392 Da
Melting point
178 °C
logP
2.81Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
3698-83-7
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIKey
ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1,5-dichloro-2,4-dinitro-
  • 1,5-Dichloro-2,4-dinitrobenzene
  • 2,4-Dichloro-1,5-dinitrobenzene
  • 4,6-Dichloro-1,3-dinitrobenzene
  • 4,6-Dinitro-1,3-dichlorobenzene
  • NSC 28971
  • 2,6-Dichloro-3,5-dinitrobenzene

Work with 1,3-Dichloro-4,6-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

2,4,5-Trichloronitrobenzene89-69-087 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-566 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-465 % similar 2-Nitrochlorobenzene88-73-363 % similar 2,4-Dichloronitrobenzene611-06-362 % similar 1,4-Dichloro-2-nitrobenzene89-61-262 % similar 2,4-Dinitrochlorobenzene97-00-762 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-560 % similar

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

Elsewhere

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