chempirical

Dnoc-ammonium

C7H9N3O5CAS 2980-64-5215.16 g/mol

Open in Covalent MOL file
N+OO−N+OO−HONH3
NitroPhenol

Properties

Molecular formula
C7H9N3O5
Molar mass
215.16 g/mol
Exact mass
215.0542 Da
Melting point
205 °C
logP
1.68Crippen estimate
Polar surface area
141.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
2980-64-5
SMILES
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.N
InChIKey
QOHVLZBCVSJGFV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O5.H3N/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;1H3

Weigh it out

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

Names and synonyms

19 names · show all
  • Phenol, 2-methyl-4,6-dinitro-, ammonium salt (1:1)
  • o-Cresol, 4,6-dinitro-, ammonium salt
  • Phenol, 2-methyl-4,6-dinitro-, ammonium salt
  • o-Cresol, 4,6-dinitro-, NH4 deriv.
  • o-Cresol, 4,6-dinitro-, ammonium deriv.
  • 4,6-Dinitro-o-cresol ammonium salt
  • Dinozol 50
  • Kresonit E
  • Krezamon
  • Dinozol
  • DNOC ammonium salt
  • Ammonium DNOC
  • Erbitox
  • Krezonit E
  • Superelgetol
  • Nitrosan
  • Nitrosan (pesticide)
  • Kresamone
  • 2-Methyl-4,6-nitrophenol ammonium salt

Work with Dnoc-ammonium

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-Methyl-4,6-dinitrophenol534-52-191 % similar Dunnite131-74-876 % similar 2,6-Dimethyl-4-nitrophenol2423-71-473 % similar Picric acid88-89-167 % similar 2,4-Dimethyl-6-nitrophenol14452-34-765 % similar 2-Chloro-4,6-dinitrophenol946-31-658 % similar Picramic acid96-91-356 % similar Dinoterb1420-07-156 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook