ChemSpider 2D Image | 4-Nitrophenyl methylphosphonate | C7H7NO5P

4-Nitrophenyl methylphosphonate

  • Molecular FormulaC7H7NO5P
  • Average mass216.109 Da
  • Monoisotopic mass216.006729 Da
  • ChemSpider ID18688031

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Nitrophenyl methylphosphonate [ACD/IUPAC Name]
4-Nitrophenyl-methylphosphonat [German] [ACD/IUPAC Name]
Méthylphosphonate de 4-nitrophényle [French] [ACD/IUPAC Name]
Phosphonic acid, P-methyl-, mono(4-nitrophenyl) ester, ion(1-) [ACD/Index Name]
1832-64-0 [RN]
4-nitrophenyl hydrogen (R)-methylphosphonate
METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER
  • Miscellaneous

    • Chemical Class:

      A C-nitro compound that is a phosphonate transition state analogue with affinity for catalytic antibody (esterase) CNJ206. ChEBI CHEBI:44940

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 382.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 185.2±28.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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