Found 11 results

Search term: MF = 'C_{21}H_{21}BrO_{3}S'
ChemSpider 2D Image | (1S,4S)-1-(2-Bromophenyl)-3,3-dimethyl-4-(phenylsulfonyl)-3,3a,4,5-tetrahydro-1H-cyclopenta[c]furan | C21H21BrO3S

(1S,4S)-1-(2-Bromophenyl)-3,3-dimethyl-4-(phenylsulfonyl)-3,3a,4,5-tetrahydro-1H-cyclopenta[c]furan

  • Molecular FormulaC21H21BrO3S
  • Average mass433.359 Da
  • Monoisotopic mass432.039459 Da
  • ChemSpider ID75569179

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4S)-1-(2-Bromophenyl)-3,3-dimethyl-4-(phenylsulfonyl)-3,3a,4,5-tetrahydro-1H-cyclopenta[c]furan [ACD/IUPAC Name]
(1S,4S)-1-(2-Bromophényl)-3,3-diméthyl-4-(phénylsulfonyl)-3,3a,4,5-tétrahydro-1H-cyclopenta[c]furane [French] [ACD/IUPAC Name]
(1S,4S)-1-(2-Bromphenyl)-3,3-dimethyl-4-(phenylsulfonyl)-3,3a,4,5-tetrahydro-1H-cyclopenta[c]furan [German] [ACD/IUPAC Name]
1H-Cyclopenta[c]furan, 3-(2-bromophenyl)-3,5,6,6a-tetrahydro-1,1-dimethyl-6-(phenylsulfonyl)-, (3S,6S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 293.3±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3402.87
ACD/KOC (pH 5.5): 11740.56
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3402.87
ACD/KOC (pH 7.4): 11740.56
Polar Surface Area: 52 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 293.4±5.0 cm3

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