chempirical

Disodium P-nitrophenyl phosphate

C6H4NNa2O6PCAS 4264-83-9263.05 g/mol

Open in Covalent MOL file
O−N+OOPO−O−ONa+Na+
NitroPhosphate

Properties

Molecular formula
C6H4NNa2O6P
Molar mass
263.05 g/mol
Exact mass
262.9572 Da
logP
0.30Crippen estimate
Polar surface area
109.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
4264-83-9
SMILES
[O-][N+](=O)c1ccc(OP([O-])([O-])=O)cc1.[Na+].[Na+]
InChIKey
VVJLIHSHOXOWFL-UHFFFAOYSA-N
InChI
InChI=1S/C6H6NO6P.2Na/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;/h1-4H,(H2,10,11,12);;

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Names and synonyms

12 names
  • Phosphoric acid, mono(4-nitrophenyl) ester, sodium salt (1:2)
  • Phosphoric acid, mono(p-nitrophenyl) ester, disodium salt
  • Phosphoric acid, mono(4-nitrophenyl) ester, disodium salt
  • Phenol, p-nitro-, di-H phosphate, disodium salt
  • Phenol, p-nitro-, phosphate disodium salt
  • p-Nitrophenylphosphate sodium salt
  • p-Nitrophenyl phosphate disodium salt
  • Disodium 4-nitrophenyl phosphate
  • p-Nitrophenyl disodium phosphate
  • 4-Nitrophenyl phosphate disodium salt
  • p-NPP disodium salt
  • Disodium mono(4-nitrophenyl) phosphate

Work with Disodium P-nitrophenyl phosphate

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

Sodium bis(4-nitrophenyl) phosphate4043-96-372 % similar Bis(P-nitrophenyl) phosphate645-15-858 % similar Disodium phenyl phosphate3279-54-757 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-353 % similar Parathion methyl298-00-050 % similar Parathion56-38-250 % similar Sodium P-nitrophenolate824-78-250 % similar 1,4-Dinitrobenzene100-25-448 % similar

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

Elsewhere

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