Found 374 results

Search term: MF = 'C_{9}H_{13}FN_{2}O_{2}S'
ChemSpider 2D Image | (1S)-1-[5-Fluoro-2-(methylsulfonyl)phenyl]-1,2-ethanediamine | C9H13FN2O2S

(1S)-1-[5-Fluoro-2-(methylsulfonyl)phenyl]-1,2-ethanediamine

  • Molecular FormulaC9H13FN2O2S
  • Average mass232.275 Da
  • Monoisotopic mass232.068176 Da
  • ChemSpider ID27448650

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-[5-Fluor-2-(methylsulfonyl)phenyl]-1,2-ethandiamin [German] [ACD/IUPAC Name]
(1S)-1-[5-Fluoro-2-(methylsulfonyl)phenyl]-1,2-ethanediamine [ACD/IUPAC Name]
(1S)-1-[5-Fluoro-2-(méthylsulfonyl)phényl]-1,2-éthanediamine [French] [ACD/IUPAC Name]
1,2-Ethanediamine, 1-[5-fluoro-2-(methylsulfonyl)phenyl]-, (1S)- [ACD/Index Name]
2-((1S)-1,2-DIAMINOETHYL)-4-FLUORO-1-(METHYLSULFONYL)BENZENE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 437.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.6±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 56.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -4.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 176.3±3.0 cm3

Click to predict properties on the Chemicalize site


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