ChemSpider 2D Image | BMS-229724 | C27H25Cl2F3O5S

BMS-229724

  • Molecular FormulaC27H25Cl2F3O5S
  • Average mass589.451 Da
  • Monoisotopic mass588.075195 Da
  • ChemSpider ID8027121

More details:

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

221914-85-8 [RN]
2-Butanone, 4-[4-[2-[[2-[bis(4-chlorophenyl)methoxy]ethyl]sulfonyl]ethoxy]phenyl]-1,1,1-trifluoro- [ACD/Index Name]
4-{4-[2-({2-[Bis(4-chlorophenyl)methoxy]ethyl}sulfonyl)ethoxy]phenyl}-1,1,1-trifluoro-2-butanone [ACD/IUPAC Name]
4-{4-[2-({2-[Bis(4-chlorophényl)méthoxy]éthyl}sulfonyl)éthoxy]phényl}-1,1,1-trifluoro-2-butanone [French] [ACD/IUPAC Name]
4-{4-[2-({2-[Bis(4-chlorphenyl)methoxy]ethyl}sulfonyl)ethoxy]phenyl}-1,1,1-trifluor-2-butanon [German] [ACD/IUPAC Name]
BMS-229724
2-Butanone, 4-(4-(2-((2-(bis(4-chlorophenyl)methoxy)ethyl)sulfonyl)ethoxy)phenyl)-1,1,1-trifluoro-
4-[4-[2-[2-[bis(4-chlorophenyl)methoxy]ethylsulfonyl]ethoxy]phenyl]-1,1,1-trifluorobutan-2-one
4-[4-[2-[2-[bis(4-chlorophenyl)methoxy]ethylsulfonyl]ethoxy]phenyl]-1,1,1-trifluoro-butan-2-one

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

42AD6D8ECA [DBID]
UNII:42AD6D8ECA [DBID]
UNII-42AD6D8ECA [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: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45106.85
ACD/KOC (pH 5.5): 74660.23
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45106.85
ACD/KOC (pH 7.4): 74660.23
Polar Surface Area: 78 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 434.6±3.0 cm3

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