ChemSpider 2D Image | 1-[3-(5-Nitro-2-furyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-7a(3aH)-yl]pyrrolidinium | C15H20N3O4

1-[3-(5-Nitro-2-furyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-7a(3aH)-yl]pyrrolidinium

  • Molecular FormulaC15H20N3O4
  • Average mass306.336 Da
  • Monoisotopic mass306.144836 Da
  • ChemSpider ID21432369

  • Charge - Charge

More details:

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

1,2-Benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-(5-nitro-2-furanyl)-7a-(1-pyrrolidinyl)-, conjugate monoacid [ACD/Index Name]
1-[3-(5-Nitro-2-furyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-7a(3aH)-yl]pyrrolidinium [ACD/IUPAC Name]
1-[3-(5-Nitro-2-furyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-7a(3aH)-yl]pyrrolidinium [German] [ACD/IUPAC Name]
1-[3-(5-Nitro-2-furyl)-4,5,6,7-tétrahydro-1,2-benzoxazol-7a(3aH)-yl]pyrrolidinium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 422.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±0.0 kJ/mol
Flash Point: 209.3±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 8.24
ACD/KOC (pH 7.4): 114.26
Polar Surface Area: 85 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement