chempirical

Sodium 2,4-dinitrophenolate

C6H3N2NaO5CAS 1011-73-0206.09 g/mol

Open in Covalent MOL file
O−N+O−ON+O−ONa+
NitroPhenol

Properties

Molecular formula
C6H3N2NaO5
Molar mass
206.09 g/mol
Exact mass
205.9940 Da
logP
0.83Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
1011-73-0
SMILES
[O-]c1ccc([N+]([O-])=O)cc1[N+]([O-])=O.[Na+]
InChIKey
RQBWMLFHMVFSBS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O5.Na/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h1-3,9H;

Weigh it out

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Names and synonyms

7 names
  • Phenol, 2,4-dinitro-, sodium salt (1:1)
  • Phenol, 2,4-dinitro-, sodium salt
  • Phenol, 2,4-dinitro-, sodium deriv.
  • 2,4-Dinitrophenol sodium salt
  • Sodium 2,4-dinitrophenol
  • Sodium 2,4-dinitrophenoxide
  • Sodium 2,4-dinitrophenate

Work with Sodium 2,4-dinitrophenolate

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-Amino-4-nitrophenol sodium salt61702-43-066 % similar Sodium O-nitrophenolate824-39-561 % similar Sodium 2,4-dinitrobenzenesulfonate885-62-158 % similar 5-Nitroguaiacol sodium salt67233-85-656 % similar Sodium P-nitrophenolate824-78-255 % similar 2,4-Dinitrotoluene121-14-254 % similar 2,4-Dinitrophenol51-28-554 % similar 1-Bromo-2,4-dinitrobenzene584-48-554 % similar

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

Elsewhere

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