ChemSpider 2D Image | (2S,4R)-difenoconazole | C19H17Cl2N3O3

(2S,4R)-difenoconazole

  • Molecular FormulaC19H17Cl2N3O3
  • Average mass406.263 Da
  • Monoisotopic mass405.064697 Da
  • ChemSpider ID32698235
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,4R)-difenoconazole
1-({(2S,4R)-2-[2-Chlor-4-(4-chlorphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-({(2S,4R)-2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
1-({(2S,4R)-2-[2-Chloro-4-(4-chlorophénoxy)phényl]-4-méthyl-1,3-dioxolan-2-yl}méthyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1161016-84-7 [RN]
1H-1,2,4-Triazole, 1-[[(2S,4R)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]- [ACD/Index Name]
1-[[(2{s},4{r})-2-[2-Chloranyl-4-(4-Chloranylphenoxy)phenyl]-4-Methyl-1,3-Dioxolan-2-Yl]methyl]-1,2,4-Triazole
1-[[(2R,4S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
119446-68-3 [RN]
5LZ
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

75D9W6Q0SI [DBID]
UNII:75D9W6Q0SI [DBID]
UNII-75D9W6Q0SI [DBID]
UNII-Z6451L1Z11 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 547.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.6±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 103.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 647.79
ACD/KOC (pH 5.5): 3575.72
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 651.24
ACD/KOC (pH 7.4): 3594.76
Polar Surface Area: 58 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 287.1±7.0 cm3

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