ChemSpider 2D Image | (1Z,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol | C15H17Cl2N3O

(1Z,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol

  • Molecular FormulaC15H17Cl2N3O
  • Average mass326.221 Da
  • Monoisotopic mass325.074860 Da
  • ChemSpider ID32787637

  • 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

(1Z,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol [ACD/IUPAC Name]
(1Z,3R)-1-(2,4-Dichlorophényl)-4,4-diméthyl-2-(1H-1,2,4-triazol-1-yl)-1-pentén-3-ol [French] [ACD/IUPAC Name]
(1Z,3R)-1-(2,4-Dichlorphenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol, β-[(2,4-dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-, (αR,βZ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 256.8±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 86.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 650.23
ACD/KOC (pH 5.5): 3590.32
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 650.55
ACD/KOC (pH 7.4): 3592.07
Polar Surface Area: 51 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 256.0±7.0 cm3

Click to predict properties on the Chemicalize site


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