chempirical

Styphnic acid

C6H3N3O8CAS 82-71-3245.10 g/mol

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

Properties

Molecular formula
C6H3N3O8
Molar mass
245.10 g/mol
Exact mass
244.9920 Da
Melting point
175.5 °C
logP
0.82Crippen estimate
Polar surface area
169.9 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
3

Identifiers

CAS number
82-71-3
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O
InChIKey
IXHMHWIBCIYOAZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Benzenediol, 2,4,6-trinitro-
  • Resorcinol, 2,4,6-trinitro-
  • 2,4,6-Trinitro-1,3-benzenediol
  • 2,4-Dihydroxy-1,3,5-trinitrobenzene
  • 2,4,6-Trinitroresorcinol
  • 3-Hydroxy-2,4,6-trinitrophenol
  • 1,3-Dihydroxy-2,4,6-trinitrobenzene
  • NSC 36932

Work with Styphnic acid

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

Trinitro-M-cresol602-99-373 % similar Picric acid88-89-164 % similar 2,4-Dinitroresorcinol519-44-863 % similar 2,6-Dinitro-P-cresol609-93-860 % similar Martius yellow605-69-659 % similar Dunnite131-74-858 % similar 4,6-Dinitroresorcinol616-74-057 % similar 2,6-Dinitrophenol573-56-855 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia