p-Nitrophenyl diphenyl phosphate
Basic information
- CAS
10359-36-1- Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1- InChIKey
UJNGLGOZLJRNNN-UHFFFAOYSA-N- Molecular formula
- C18H14NO6P
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 371.05587416
Overview
structure in first source
Names & identifiers
- Preferred name
- p-Nitrophenyl diphenyl phosphate
- IUPAC
- (4-nitrophenyl) diphenyl phosphate
- English name
- 4-Nitrophenyldiphenylphosphate
- Molecular formula
- C18H14NO6P
- Molecular weight
- 371.28
Names & synonyms
p-nitrophenyl diphenyl phosphatep-NPDPP cpdRefChem:9284684-Nitrophenyl diphenyl phosphate(4-nitrophenyl) diphenyl phosphate10359-36-14-NITROPHENYLDIPHENYLPHOSPHATEPhosphoric acid, 4-nitrophenyl diphenyl esterSCHEMBL959287CHEMBL278353DTXSID60145926Phosphoric acid p-nitrophenyldiphenyl ester
Show more names
Phosphoric acid diphenyl=4-nitrophenyl esterPhosphoric acid diphenyl p-nitrophenyl esterPhosphoric acid diphenyl(4-nitrophenyl) esterPhosphoric acid diphenyl=(4-nitrophenyl) ester
Database identifiers
- CAS
10359-36-1- PubChem CID
- 25200
- DTXSID
DTXSID60145926- ChEMBL
CHEMBL278353- Nikkaji
- J315.187E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 456.1 · 456.1±28.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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