ChemSpider 2D Image | (S)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol | C14H17Cl2N3O

(S)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol

  • Molecular FormulaC14H17Cl2N3O
  • Average mass314.210 Da
  • Monoisotopic mass313.074860 Da
  • ChemSpider ID21173802
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol [ACD/IUPAC Name]
(2S)-2-(2,4-Dichlorophényl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol [French] [ACD/IUPAC Name]
(2S)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol [ACD/IUPAC Name]
(2S)-2-(2,4-Dichlorphenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol [German] [ACD/IUPAC Name]
(S)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol [ACD/IUPAC Name]
(αS)-α-Butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
1H-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-, (αS)- [ACD/Index Name]
221627-82-3 [RN]
T5NN DNJ A1XQ4&R BG DG &&S Form [WLN]
(S)-hexaconazole

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

Z4IDE9ACW3 [DBID]
UNII:Z4IDE9ACW3 [DBID]
UNII-Z4IDE9ACW3 [DBID]
  • Miscellaneous
    • Chemical Class:

      A 2-(2,4-dichlorophenyl)-1-(1<element>H</element>-1,2,4-triazol-1-yl)hexan-2-ol that has <stereo>S</stereo> configuration. ChEBI CHEBI:83713

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 490.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.3±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 82.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.04
ACD/KOC (pH 5.5): 2241.58
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.03
ACD/KOC (pH 7.4): 2248.17
Polar Surface Area: 51 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 241.6±7.0 cm3

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