ChemSpider 2D Image | myclobutanil [ANSI] | C15H17ClN4

myclobutanil [ANSI]

  • Molecular FormulaC15H17ClN4
  • Average mass288.775 Da
  • Monoisotopic mass288.114166 Da
  • ChemSpider ID34448845

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile [ACD/IUPAC Name]
(2S)-2-(4-Chlorophényl)-2-(1H-1,2,4-triazol-1-ylméthyl)hexanenitrile [French] [ACD/IUPAC Name]
(2S)-2-(4-Chlorphenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexannitril [German] [ACD/IUPAC Name]
(S)-2-[(1H-1,2,4-triazol-1-yl)methyl]-2-(4-chlorophenyl)hexanenitrile [ACD/IUPAC Name]
(S)-myclobutanil
(αS)-α-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
1H-1,2,4-Triazole-1-propanenitrile, α-butyl-α-(4-chlorophenyl)-, (αS)- [ACD/Index Name]
9059355 [Beilstein]
myclobutanil [ANSI] [BSI] [ISO]
T5NN DNJ A1X4&CN&R DG&&S Form [WLN]
More...
  • Miscellaneous

    • Chemical Class:

      A 2-(4-chlorophenyl)-2-(1<element>H</element>-1,2,4-triazol-1-ylmethyl)hexanenitrile that has <stereo>S</stereo> configuration. ChEBI CHEBI:83731
      A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has S configuration. ChEBI CHEBI:83731

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.2±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 83.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.18
ACD/KOC (pH 5.5): 1299.24
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.30
ACD/KOC (pH 7.4): 1300.27
Polar Surface Area: 55 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 247.9±7.0 cm3

Click to predict properties on the Chemicalize site


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