ChemSpider 2D Image | {4-[(4-Bromo-2,6-dichlorophenyl)sulfonyl]-1-piperazinyl}acetonitrile | C12H12BrCl2N3O2S

{4-[(4-Bromo-2,6-dichlorophenyl)sulfonyl]-1-piperazinyl}acetonitrile

  • Molecular FormulaC12H12BrCl2N3O2S
  • Average mass413.118 Da
  • Monoisotopic mass410.921051 Da
  • ChemSpider ID37909324

More details:

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

{4-[(4-Brom-2,6-dichlorphenyl)sulfonyl]-1-piperazinyl}acetonitril [German] [ACD/IUPAC Name]
{4-[(4-Bromo-2,6-dichlorophenyl)sulfonyl]-1-piperazinyl}acetonitrile [ACD/IUPAC Name]
{4-[(4-Bromo-2,6-dichlorophényl)sulfonyl]-1-pipérazinyl}acétonitrile [French] [ACD/IUPAC Name]
1-Piperazineacetonitrile, 4-[(4-bromo-2,6-dichlorophenyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 523.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.6±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.29
ACD/KOC (pH 5.5): 1300.05
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.37
ACD/KOC (pH 7.4): 1300.65
Polar Surface Area: 73 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 246.9±3.0 cm3

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