ChemSpider 2D Image | 3-(3-Chlorophenyl)-3-cyanopropyl methanesulfonate | C11H12ClNO3S

3-(3-Chlorophenyl)-3-cyanopropyl methanesulfonate

  • Molecular FormulaC11H12ClNO3S
  • Average mass273.736 Da
  • Monoisotopic mass273.022644 Da
  • ChemSpider ID21374083

More details:

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

3-(3-Chlorophenyl)-3-cyanopropyl methanesulfonate [ACD/IUPAC Name]
3-(3-Chlorphenyl)-3-cyanpropyl-methansulfonat [German] [ACD/IUPAC Name]
925889-97-0 [RN]
Benzeneacetonitrile, 3-chloro-α-[2-[(methylsulfonyl)oxy]ethyl]- [ACD/Index Name]
Méthanesulfonate de 3-(3-chlorophényl)-3-cyanopropyle [French] [ACD/IUPAC Name]
Methanesulfonic acid 3-(3-chloro-phenyl)-3-cyano-propyl ester
1,2-dimethyl-5-nitro-imidazole
Dimetridazole [BAN] [INN] [Wiki]
methanesulfonic acid [3-(3-chlorophenyl)-3-cyanopropyl] ester
Methanesulfonic acid 3-(3-chloro-phenyl)-3-cyano-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 471.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 238.9±27.3 °C
    Index of Refraction: 1.548
    Molar Refractivity: 65.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 26.28
    ACD/KOC (pH 5.5): 361.25
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 26.28
    ACD/KOC (pH 7.4): 361.25
    Polar Surface Area: 76 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 205.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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