ChemSpider 2D Image | 2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol | C13H12BrCl2N3O

2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

  • Molecular FormulaC13H12BrCl2N3O
  • Average mass377.064 Da
  • Monoisotopic mass374.954071 Da
  • ChemSpider ID26644394

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,5-Anhydro-4-brom-1,3,4-tridesoxy-2-(2,4-dichlorphenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol [German] [ACD/IUPAC Name]
2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol [ACD/IUPAC Name]
2,5-Anhydro-4-bromo-1,3,4-tridésoxy-2-(2,4-dichlorophényl)-1-(1H-1,2,4-triazol-1-yl)-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
1-[[(2R,4R)-4-bromo-2-(2,4-dichlorophenyl)-2-tetrahydrofuranyl]methyl]-1,2,4-triazole
1-[[(2R,4R)-4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
1-[[(2R,4R)-4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole
116255-48-2 [RN]
bromuconazole [BSI] [ISO]
cis(-)-Bromuconazole
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 504.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.8±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 83.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.96
ACD/KOC (pH 5.5): 1514.84
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.55
ACD/KOC (pH 7.4): 1519.45
Polar Surface Area: 40 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 219.7±7.0 cm3

Click to predict properties on the Chemicalize site


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