Found 6 results

Search term: ZQNARVKYKGBJES (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate | C27H33BrO5S

3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate

  • Molecular FormulaC27H33BrO5S
  • Average mass549.517 Da
  • Monoisotopic mass548.123169 Da
  • ChemSpider ID2522237

More details:

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

3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate [ACD/IUPAC Name]
3,20-Dioxopregn-4-en-21-yl-4-brombenzolsulfonat [German] [ACD/IUPAC Name]
4-Bromobenzènesulfonate de 3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-bromo-, 3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
21170-34-3 [RN]
24011-68-5 [RN]
NSC88915, 6

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

NSC88915 [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: 645.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.4±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5508.87
ACD/KOC (pH 5.5): 16574.66
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5508.87
ACD/KOC (pH 7.4): 16574.66
Polar Surface Area: 86 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 385.4±5.0 cm3

Click to predict properties on the Chemicalize site


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