chempirical

Sodium P-nitrophenolate

C6H4NNaO3CAS 824-78-2161.09 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
824-78-2
SMILES
[O-]c1ccc([N+]([O-])=O)cc1.[Na+]
InChIKey
OORLTLMFPORJLV-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;

Weigh it out

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Names and synonyms

12 names
  • Phenol, 4-nitro-, sodium salt (1:1)
  • Phenol, p-nitro-, sodium salt
  • Phenol, 4-nitro-, sodium salt
  • Sodium, (p-nitrophenoxy)-
  • Phenol, p-nitro-, sodium deriv.
  • p-Nitrophenol sodium salt
  • Sodium 4-nitrophenolate
  • Sodium p-nitrophenoxide
  • Sodium 4-nitrophenoxide
  • Sodium p-nitrophenol
  • 4-Nitrophenol sodium salt
  • Sodium para-nitrophenolate

Work with Sodium P-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

1,4-Dinitrobenzene100-25-465 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-158 % similar Sodium 2,4-dinitrophenolate1011-73-055 % similar Nitrobenzene98-95-352 % similar 4-Nitrochlorobenzene100-00-552 % similar 4-Nitroaniline100-01-652 % similar 4-Nitrophenol100-02-752 % similar Bis(4-nitrophenyl) disulfide100-32-352 % similar

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

Same formula

Sodium O-nitrophenolate824-39-5

Elsewhere

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