ChemSpider 2D Image | 1-({(2R,4S)-2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole | C19H17Cl2N3O3

1-({(2R,4S)-2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole

  • Molecular FormulaC19H17Cl2N3O3
  • Average mass406.263 Da
  • Monoisotopic mass405.064697 Da
  • ChemSpider ID18830655

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-({(2R,4S)-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-({(2R,4S)-2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
1-({(2R,4S)-2-[2-Chloro-4-(4-chlorophénoxy)phényl]-4-méthyl-1,3-dioxolan-2-yl}méthyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1-[[(2{r},4{s})-2-[2-Chloranyl-4-(4-Chloranylphenoxy)phenyl]-4-Methyl-1,3-Dioxolan-2-Yl]methyl]-1,2,4-Triazole
1161016-86-9 [RN]
1H-1,2,4-Triazole, 1-[[(2R,4S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]- [ACD/Index Name]
868383-33-9 [RN]
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]
5LX
More...

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

29W19N22RZ [DBID]
UNII:Z6451L1Z11 [DBID]
Z6451L1Z11 [DBID]
UNII:29W19N22RZ [DBID]
UNII-29W19N22RZ [DBID]
UNII-Z6451L1Z11 [DBID]

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

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

Click to predict properties on the Chemicalize site


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