ChemSpider 2D Image | {4-[(3,4-Difluorophenyl)sulfonyl]-1-piperazinyl}acetic acid | C12H14F2N2O4S

{4-[(3,4-Difluorophenyl)sulfonyl]-1-piperazinyl}acetic acid

  • Molecular FormulaC12H14F2N2O4S
  • Average mass320.312 Da
  • Monoisotopic mass320.064240 Da
  • ChemSpider ID24800036

More details:

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

{4-[(3,4-Difluorophenyl)sulfonyl]-1-piperazinyl}acetic acid [ACD/IUPAC Name]
{4-[(3,4-Difluorphenyl)sulfonyl]-1-piperazinyl}essigsäure [German] [ACD/IUPAC Name]
1-Piperazineacetic acid, 4-[(3,4-difluorophenyl)sulfonyl]- [ACD/Index Name]
Acide {4-[(3,4-difluorophényl)sulfonyl]-1-pipérazinyl}acétique [French] [ACD/IUPAC Name]
[4-(3,4-Difluoro-benzenesulfonyl)-piperazin-1-yl]-acetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 479.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.7±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.21
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 216.5±3.0 cm3

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