chempirical

Picramic acid

C6H5N3O5CAS 96-91-3199.12 g/mol

Open in Covalent MOL file
NH2N+OO−N+OO−HO
NitroPhenolPrimary amine

Properties

Molecular formula
C6H5N3O5
Molar mass
199.12 g/mol
Exact mass
199.0229 Da
Melting point
169 °C
logP
0.79Crippen estimate
Polar surface area
132.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
96-91-3
SMILES
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIKey
QXYMVUZOGFVPGH-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2

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

Names and synonyms

15 names · show all
  • 1-Hydroxy-2-amino-4,6-dinitrobenzene
  • NSC 36939
  • Phenol, 2-amino-4,6-dinitro-
  • 2-Amino-4,6-dinitrophenol
  • C.I. Oxidation base 21
  • 4,6-Dinitro-2-aminophenol
  • Fourrine 4R
  • Fourrine 93
  • Furro 4R
  • Zoba 4R
  • 2,4-Dinitro-6-aminophenol
  • 6-Amino-2,4-dinitrophenol
  • 1-Amino-2-hydroxy-3,5-dinitrobenzene
  • 1-Amino-3,5-dinitro-2-hydroxybenzene
  • NSC 4861

Work with Picramic 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

Picric acid88-89-173 % similar Dunnite131-74-867 % similar 2-Amino-4-methyl-6-nitrophenol6265-07-267 % similar 2-Amino-4-chloro-6-nitrophenol6358-08-367 % similar 2-Amino-6-chloro-4-nitrophenol6358-09-467 % similar 2-Chloro-4,6-dinitrophenol946-31-663 % similar 2-Amino-4,6-dinitrotoluene35572-78-261 % similar 2-Methyl-4,6-dinitrophenol534-52-161 % similar

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

Same formula

O-(2,4-Dinitrophenyl)hydroxylamine17508-17-7

Elsewhere

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