ChemSpider 2D Image | (2S,3S)-cyproconazole | C15H18ClN3O

(2S,3S)-cyproconazole

  • Molecular FormulaC15H18ClN3O
  • Average mass291.776 Da
  • Monoisotopic mass291.113831 Da
  • ChemSpider ID32787728

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol [ACD/IUPAC Name]
(2S,3S)-2-(4-Chlorophényl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol [French] [ACD/IUPAC Name]
(2S,3S)-2-(4-Chlorphenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol [German] [ACD/IUPAC Name]
(2S,3S)-cyproconazole
1H-1,2,4-Triazole-1-ethanol, α-(4-chlorophenyl)-α-[(1S)-1-cyclopropylethyl]-, (αS)- [ACD/Index Name]
(2S,3S)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
138604-73-6 [RN]
94361-06-5 [RN]
cyproconazole [BSI] [ISO] [Wiki]
UNII-622B9C3E6T
  • Miscellaneous

    • Chemical Class:

      The (2<stereo>S</stereo>,3<stereo>S</stereo>)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1<element>H</element>-1,2,4-triazol-1-yl)butan-2-ol. ChEBI CHEBI:83750
      The (2S,3S)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol. ChEBI CHEBI:83750

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.1±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: 243.6±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.05
ACD/KOC (pH 5.5): 952.41
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.62
ACD/KOC (pH 7.4): 957.72
Polar Surface Area: 51 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 219.9±7.0 cm3

Click to predict properties on the Chemicalize site


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