ChemSpider 2D Image | (-)-ethyl p-nitrophenyl benzenethiophosphonate | C14H14NO4PS

(-)-ethyl p-nitrophenyl benzenethiophosphonate

  • Molecular FormulaC14H14NO4PS
  • Average mass323.304 Da
  • Monoisotopic mass323.038116 Da
  • ChemSpider ID32702175
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(-)-ethyl p-nitrophenyl benzenethiophosphonate
(S)-Phénylphosphonothioate de O-éthyle et de O-(4-nitrophényle) [French] [ACD/IUPAC Name]
65580-80-5 [RN]
O-Ethyl O-(4-nitrophenyl) (S)-phenylphosphonothioate [ACD/IUPAC Name]
O-Ethyl-O-(4-nitrophenyl)-(S)-phenylphosphonothioat [German] [ACD/IUPAC Name]
Phosphonothioic acid, P-phenyl-, O-ethyl O-(4-nitrophenyl) ester, (S)- [ACD/Index Name]
218-276-8 [EINECS]
ETHYL P-NITROPHENYL BENZENETHIOPHOSPHONATE
ETHYL P-NITROPHENYL BENZENETHIOPHOSPHONATE, (-)-
Pentaborane [ACD/Index Name] [ACD/IUPAC Name] [Wiki]

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

3QP6TS3GA2 [DBID]
UNII:3QP6TS3GA2 [DBID]
UNII-3QP6TS3GA2 [DBID]
UNII-9Y6HP0HYA8 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 434.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 216.6±29.3 °C
Index of Refraction: 1.613
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 719.94
ACD/KOC (pH 5.5): 3862.36
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 719.94
ACD/KOC (pH 7.4): 3862.36
Polar Surface Area: 106 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 241.1±5.0 cm3

Click to predict properties on the Chemicalize site






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