ChemSpider 2D Image | Isopropyl 2-{[(R)-ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate | C15H24NO4PS

Isopropyl 2-{[(R)-ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate

  • Molecular FormulaC15H24NO4PS
  • Average mass345.394 Da
  • Monoisotopic mass345.116364 Da
  • ChemSpider ID32796932

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[(R)-Éthoxy(isopropylamino)phosphorothioyl]oxy}benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(R)-ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-{[(R)-ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate [ACD/IUPAC Name]
Isopropyl-2-{[(R)-ethoxy(isopropylamino)phosphorothioyl]oxy}benzoat [German] [ACD/IUPAC Name]
246-814-1 [EINECS]
25311-71-1 [RN]
ISOFENPHOS

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

UNII-0514MAW53A [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 411.5±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: 202.7±29.3 °C
Index of Refraction: 1.528
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 892.98
ACD/KOC (pH 5.5): 4506.23
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 892.98
ACD/KOC (pH 7.4): 4506.23
Polar Surface Area: 99 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 298.3±3.0 cm3

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