chempirical

4,6-Dinitroresorcinol

C6H4N2O6CAS 616-74-0200.11 g/mol

Open in Covalent MOL file
ON+O−N+OO−OHHO
NitroPhenol

Properties

Molecular formula
C6H4N2O6
Molar mass
200.11 g/mol
Exact mass
200.0069 Da
Melting point
213 °C
logP
0.91Crippen estimate
Polar surface area
126.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
616-74-0
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O
InChIKey
MBXIRNHACKAGPA-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H

Weigh it out

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

Names and synonyms

4 names
  • 1,3-Benzenediol, 4,6-dinitro-
  • Resorcinol, 4,6-dinitro-
  • 4,6-Dinitro-1,3-benzenediol
  • 3-Hydroxy-4,6-dinitrophenol

Work with 4,6-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

4-Chloro-5-methyl-2-nitrophenol7147-89-963 % similar 2,5-Dinitrophenol329-71-562 % similar 2,4-Dinitrophenol51-28-562 % similar 4-Fluoro-2-nitrophenol394-33-260 % similar 4-Methyl-2-nitrophenol119-33-558 % similar 4-Amino-2-nitrophenol119-34-658 % similar 5-Fluoro-2-nitrophenol446-36-658 % similar 5-Methyl-2-nitrophenol700-38-958 % similar

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

Same formula

2,4-Dinitroresorcinol519-44-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook