ChemSpider 2D Image | PSM3RT117Z | C24H28Cl3FO4

PSM3RT117Z

  • Molecular FormulaC24H28Cl3FO4
  • Average mass505.834 Da
  • Monoisotopic mass504.103729 Da
  • ChemSpider ID8499365

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,5-Dichlor-6b-(chloracetyl)-12-fluor-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on [German] [ACD/IUPAC Name]
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,5-Dichloro-6b-(2-chloroacétyl)-12-fluoro-4a,6a,8,8-tétraméthyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-2- one [French] [ACD/IUPAC Name]
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,5-Dichloro-6b-(chloroacetyl)-12-fluoro-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-o ne [ACD/IUPAC Name]
26849-57-0 [RN]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 4b,5-dichloro-6b-(2-chloroacetyl)-12-fluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-4a,6a,8,8-tetramethyl-, (4aS,4bR,5S,6aS,6bS,9aR,10aS,10b S,12S)- [ACD/Index Name]
PSM3RT117Z
TRICLONIDE
D06225
Triclonide (USAN)
UNII:PSM3RT117Z
More...

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

3431 [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: 587.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 196.6±19.3 °C
Index of Refraction: 1.577
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1858.44
ACD/KOC (pH 5.5): 7614.71
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1858.44
ACD/KOC (pH 7.4): 7614.71
Polar Surface Area: 53 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 364.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement