chempirical

Sodium O-nitrophenolate

C6H4NNaO3CAS 824-39-5161.09 g/mol

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

Properties

Molecular formula
C6H4NNaO3
Molar mass
161.09 g/mol
Exact mass
161.0089 Da
logP
0.92Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
824-39-5
SMILES
[O-]c1ccccc1[N+]([O-])=O.[Na+]
InChIKey
SCFXRRMXMMHURF-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;

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Names and synonyms

12 names
  • Phenol, 2-nitro-, sodium salt (1:1)
  • Phenol, o-nitro-, sodium salt
  • Phenol, 2-nitro-, sodium salt
  • Sodium, (o-nitrophenoxy)-
  • Phenol, o-nitro-, sodium deriv.
  • o-Nitrophenol sodium salt
  • Sodium o-nitrophenoxide
  • 2-Nitrophenol sodium salt
  • Sodium 2-nitrophenoxide
  • (o-Nitrophenolato)sodium
  • Sodium 2-nitrophenolate
  • Sodium o-nitrophenol

Work with Sodium O-nitrophenolate

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

1,2-Dinitrobenzene528-29-062 % similar Sodium 2,4-dinitrophenolate1011-73-061 % similar 1-Bromo-2-nitrobenzene577-19-552 % similar Bis(2-nitrophenyl) disulfide1155-00-650 % similar 1-Fluoro-2-nitrobenzene1493-27-250 % similar 2,2′-Dinitrodibenzyl16968-19-750 % similar 1,5-Dinitronaphthalene605-71-050 % similar 1-Iodo-2-nitrobenzene609-73-450 % similar

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

Same formula

Sodium P-nitrophenolate824-78-2

Elsewhere

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