ChemSpider 2D Image | (1R,5S)-7-Chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl phosphate | C9H12ClO4P

(1R,5S)-7-Chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl phosphate

  • Molecular FormulaC9H12ClO4P
  • Average mass250.616 Da
  • Monoisotopic mass250.016174 Da
  • ChemSpider ID32700927

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-7-Chlorbicyclo[3.2.0]hepta-2,6-dien-6-yl-dimethylphosphat [German] [ACD/IUPAC Name]
(1R,5S)-7-Chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl phosphate [ACD/IUPAC Name]
245-737-0 [EINECS]
Phosphate de (1R,5S)-7-chlorobicyclo[3.2.0]hepta-2,6-dién-6-yle et de diméthyle [French] [ACD/IUPAC Name]
Phosphoric acid, (1R,5S)-7-chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl ester [ACD/Index Name]
Heptenophos

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

RLZ2S71REI [DBID]
UNII:RLZ2S71REI [DBID]
UNII-RLZ2S71REI [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 289.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 160.2±35.0 °C
Index of Refraction: 1.518
Molar Refractivity: 55.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.66
ACD/KOC (pH 5.5): 493.69
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.66
ACD/KOC (pH 7.4): 493.69
Polar Surface Area: 55 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 184.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement