ChemSpider 2D Image | dimethyl 2-(benzothiophen-2-yl)-4-methyloxazole-5-phosphonate | C14H14NO4PS

dimethyl 2-(benzothiophen-2-yl)-4-methyloxazole-5-phosphonate

  • Molecular FormulaC14H14NO4PS
  • Average mass323.304 Da
  • Monoisotopic mass323.038116 Da
  • ChemSpider ID24807659

More details:

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

[2-(1-Benzothiophén-2-yl)-4-méthyl-1,3-oxazol-5-yl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [2-(1-benzothiophen-2-yl)-4-methyl-1,3-oxazol-5-yl]phosphonate [ACD/IUPAC Name]
dimethyl 2-(benzothiophen-2-yl)-4-methyloxazole-5-phosphonate
Dimethyl-[2-(1-benzothiophen-2-yl)-4-methyl-1,3-oxazol-5-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-(2-benzo[b]thien-2-yl-4-methyl-5-oxazolyl)-, dimethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 481.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 244.8±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.75
ACD/KOC (pH 5.5): 770.67
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.75
ACD/KOC (pH 7.4): 770.67
Polar Surface Area: 100 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 235.7±5.0 cm3

Click to predict properties on the Chemicalize site


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