ChemSpider 2D Image | (5-Fluoro-2-methoxyphenyl)[4-(methylsulfonyl)-1-piperazinyl]acetic acid | C14H19FN2O5S

(5-Fluoro-2-methoxyphenyl)[4-(methylsulfonyl)-1-piperazinyl]acetic acid

  • Molecular FormulaC14H19FN2O5S
  • Average mass346.375 Da
  • Monoisotopic mass346.099884 Da
  • ChemSpider ID29645033

More details:

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

(5-Fluor-2-methoxyphenyl)[4-(methylsulfonyl)-1-piperazinyl]essigsäure [German] [ACD/IUPAC Name]
(5-Fluoro-2-methoxyphenyl)[4-(methylsulfonyl)-1-piperazinyl]acetic acid [ACD/IUPAC Name]
1-Piperazineacetic acid, α-(5-fluoro-2-methoxyphenyl)-4-(methylsulfonyl)- [ACD/Index Name]
Acide (5-fluoro-2-méthoxyphényl)[4-(méthylsulfonyl)-1-pipérazinyl]acétique [French] [ACD/IUPAC Name]
(5-FLUORO-2-METHOXYPHENYL)(4-METHANESULFONYLPIPERAZIN-1-YL)ACETIC ACID
(5-fluoro-2-methoxyphenyl)[4-(methylsulfonyl)piperazin-1-yl]acetic acid
2-(5-FLUORO-2-METHOXYPHENYL)-2-(4-METHANESULFONYLPIPERAZIN-1-YL)ACETIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 505.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 259.5±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 240.5±5.0 cm3

Click to predict properties on the Chemicalize site


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