ChemSpider 2D Image | 4-[(4-Bromophenyl)sulfonyl]-1-oxa-4-azacyclohexadecan-16-one | C20H30BrNO4S

4-[(4-Bromophenyl)sulfonyl]-1-oxa-4-azacyclohexadecan-16-one

  • Molecular FormulaC20H30BrNO4S
  • Average mass460.426 Da
  • Monoisotopic mass459.107880 Da
  • ChemSpider ID21125063

More details:

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

1-Oxa-4-azacyclohexadecan-16-one, 4-[(4-bromophenyl)sulfonyl]- [ACD/Index Name]
4-[(4-Bromophenyl)sulfonyl]-1-oxa-4-azacyclohexadecan-16-one [ACD/IUPAC Name]
4-[(4-Bromophényl)sulfonyl]-1-oxa-4-azacyclohexadécan-16-one [French] [ACD/IUPAC Name]
4-[(4-Bromphenyl)sulfonyl]-1-oxa-4-azacyclohexadecan-16-on [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.1±32.9 °C
Index of Refraction: 1.523
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15823.38
ACD/KOC (pH 5.5): 35273.27
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15823.38
ACD/KOC (pH 7.4): 35273.27
Polar Surface Area: 72 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 365.9±3.0 cm3

Click to predict properties on the Chemicalize site


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