ChemSpider 2D Image | cis-metconazole | C17H22ClN3O

cis-metconazole

  • Molecular FormulaC17H22ClN3O
  • Average mass319.829 Da
  • Monoisotopic mass319.145142 Da
  • ChemSpider ID31145785

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-5-(4-Chlorbenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol [German] [ACD/IUPAC Name]
(1S,5R)-5-(4-Chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol [ACD/IUPAC Name]
(1S,5R)-5-(4-Chlorobenzyl)-2,2-diméthyl-1-(1H-1,2,4-triazol-1-ylméthyl)cyclopentanol [French] [ACD/IUPAC Name]
115850-27-6 [RN]
cis-metconazole
Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-, (1S,5R)- [ACD/Index Name]
(1R,5R)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
(1R,5R)-5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)-1-cyclopentanol
(1R,5R)-5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
125116-23-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0025848ZTJ [DBID]
UNII:0025848ZTJ [DBID]
UNII-0025848ZTJ [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 469.1±41.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 237.5±27.6 °C
    Index of Refraction: 1.614
    Molar Refractivity: 89.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 406.69
    ACD/KOC (pH 5.5): 2561.74
    ACD/LogD (pH 7.4): 3.74
    ACD/BCF (pH 7.4): 409.23
    ACD/KOC (pH 7.4): 2577.74
    Polar Surface Area: 51 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 46.3±7.0 dyne/cm
    Molar Volume: 256.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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