Found 411 results

Search term: MF = 'C_{21}H_{18}BrN_{5}O_{2}'
ChemSpider 2D Image | 3-[3-(3-Bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine | C21H18BrN5O2

3-[3-(3-Bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine

  • Molecular FormulaC21H18BrN5O2
  • Average mass452.304 Da
  • Monoisotopic mass451.064392 Da
  • ChemSpider ID35297174

More details:

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

3-[3-(3-Bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine [ACD/IUPAC Name]
3-[3-(3-Bromophényl)-1,2,4-oxadiazol-5-yl]-6-(2,4-diméthylphényl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine [French] [ACD/IUPAC Name]
3-[3-(3-Bromphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin [German] [ACD/IUPAC Name]
4H-[1,2,3]Triazolo[5,1-c][1,4]oxazine, 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro- [ACD/Index Name]
MFCD29000579

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

Density: 1.6±0.1 g/cm3
Boiling Point: 665.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.5±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1474.95
ACD/KOC (pH 5.5): 6453.70
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1474.95
ACD/KOC (pH 7.4): 6453.70
Polar Surface Area: 79 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 281.3±7.0 cm3

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