ChemSpider 2D Image | BAY-38-7271 | C20H21F3O5S

BAY-38-7271

  • Molecular FormulaC20H21F3O5S
  • Average mass430.438 Da
  • Monoisotopic mass430.106171 Da
  • ChemSpider ID57431760

More details:

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

1-Butanesulfonic acid, 4,4,4-trifluoro-, 3-[[2,3-dihydro-2-(hydroxymethyl)-1H-inden-4-yl]oxy]phenyl ester [ACD/Index Name]
3-{[2-(Hydroxymethyl)-2,3-dihydro-1H-inden-4-yl]oxy}phenyl 4,4,4-trifluoro-1-butanesulfonate [ACD/IUPAC Name]
3-{[2-(Hydroxymethyl)-2,3-dihydro-1H-inden-4-yl]oxy}phenyl-4,4,4-trifluor-1-butansulfonat [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-1-butanesulfonate de 3-{[2-(hydroxyméthyl)-2,3-dihydro-1H-indén-4-yl]oxy}phényle [French] [ACD/IUPAC Name]
BAY-38-7271
212188-60-8 [RN]
3-{[2-(HYDROXYMETHYL)-2,3-DIHYDRO-1H-INDEN-4-YL]OXY}PHENYL 4,4,4-TRIFLUOROBUTANE-1-SULFONATE
BAY 38-7271 [Wiki]
SRX4T6TMUS

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

Density: 1.4±0.1 g/cm3
Boiling Point: 527.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.6±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 767.34
ACD/KOC (pH 5.5): 4042.73
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 767.34
ACD/KOC (pH 7.4): 4042.73
Polar Surface Area: 81 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 318.6±3.0 cm3

Click to predict properties on the Chemicalize site


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