ChemSpider 2D Image | (R)-UNICONAZOLE | C15H18ClN3O

(R)-UNICONAZOLE

  • Molecular FormulaC15H18ClN3O
  • Average mass291.776 Da
  • Monoisotopic mass291.113831 Da
  • ChemSpider ID21257419

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1E,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol [ACD/IUPAC Name]
(1E,3R)-1-(4-Chlorophényl)-4,4-diméthyl-2-(1H-1,2,4-triazol-1-yl)-1-pentén-3-ol [French] [ACD/IUPAC Name]
(1E,3R)-1-(4-Chlorphenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol [German] [ACD/IUPAC Name]
(R)-UNICONAZOLE
1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methylene]-α-(1,1-dimethylethyl)-, (αR,βE)- [ACD/Index Name]
83657-16-3 [RN]
(1E,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
(E,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
(R)-(-)-uniconazole
53734-79-5 [RN]
More...

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

P34244NB26 [DBID]
UNII:P34244NB26 [DBID]
UNII-P34244NB26 [DBID]
  • Miscellaneous

    • Chemical Class:

      A (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol that has R configuration at the chiral centre. It is the enantiomer of the fungicide and plant growth retardant uniconazo le-P; the fungicide and plant growth retardant uniconazole is the racemic mixture comprising equimolar amounts of (R)-uniconazole and uniconazole-P. ChEBI CHEBI:86429

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.8±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 82.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.03
ACD/KOC (pH 5.5): 1800.87
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.24
ACD/KOC (pH 7.4): 1802.40
Polar Surface Area: 51 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 246.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement