chempirical

2,4-Dinitroresorcinol

C6H4N2O6CAS 519-44-8200.11 g/mol

Open in Covalent MOL file
ON+O−OHN+OO−HO
NitroPhenol

Properties

Molecular formula
C6H4N2O6
Molar mass
200.11 g/mol
Exact mass
200.0069 Da
Melting point
147.5 °C
logP
0.91Crippen estimate
Polar surface area
126.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
519-44-8
SMILES
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O
InChIKey
LQCKFXAPVKCRRU-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O6/c9-4-2-1-3(7(11)12)6(10)5(4)8(13)14/h1-2,9-10H

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Benzenediol, 2,4-dinitro-
  • Resorcinol, 2,4-dinitro-
  • 2,4-Dinitro-1,3-benzenediol
  • Dinitroresorcinol
  • 3-Hydroxy-2,4-dinitrophenol
  • 2,4-Dinitroresorcin
  • NSC 243680

Work with 2,4-Dinitroresorcinol

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

Styphnic acid82-71-363 % similar 2,6-Dinitrophenol573-56-860 % similar 2-Nitroresorcinol601-89-860 % similar 4-Nitro-1-naphthol605-62-956 % similar 4-Chloro-2-nitrophenol89-64-554 % similar Nitrophenol88-75-553 % similar 2,5-Dinitrophenol329-71-553 % similar 2,4-Dinitrophenol51-28-553 % similar

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

Same formula

4,6-Dinitroresorcinol616-74-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook