chempirical

Sodium bis(4-nitrophenyl) phosphate

C12H8N2NaO8PCAS 4043-96-3362.17 g/mol

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

Properties

Molecular formula
C12H8N2NaO8P
Molar mass
362.17 g/mol
Exact mass
361.9916 Da
logP
2.68Crippen estimate
Polar surface area
142.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Identifiers

CAS number
4043-96-3
SMILES
[O-][N+](=O)c1ccc(OP([O-])(=O)Oc2ccc([N+]([O-])=O)cc2)cc1.[Na+]
InChIKey
LMXBRLKQMVLVNN-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N2O8P.Na/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18;/h1-8H,(H,19,20);

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Names and synonyms

6 names
  • Phosphoric acid, bis(4-nitrophenyl) ester, sodium salt (1:1)
  • Phenol, p-nitro-, hydrogen phosphate, sodium salt
  • Phosphoric acid, bis(p-nitrophenyl) ester, sodium salt
  • Phosphoric acid, bis(4-nitrophenyl) ester, sodium salt
  • Sodium bis(p-nitrophenyl)phosphate
  • Sodium di(p-nitrophenyl) phosphate

Work with Sodium bis(4-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

Disodium P-nitrophenyl phosphate4264-83-972 % similar Bis(P-nitrophenyl) phosphate645-15-858 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-353 % similar Parathion methyl298-00-050 % similar Sodium P-nitrophenolate824-78-250 % similar 1,4-Dinitrobenzene100-25-448 % similar Parathion56-38-247 % similar 4-Nitrophenyl formate1865-01-646 % similar

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

Elsewhere

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