ChemSpider 2D Image | 4-Isopropyl-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one | C12H12N2O4

4-Isopropyl-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one

  • Molecular FormulaC12H12N2O4
  • Average mass248.235 Da
  • Monoisotopic mass248.079712 Da
  • ChemSpider ID57471026

More details:

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

4-Isopropyl-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
4-Isopropyl-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one [ACD/IUPAC Name]
4-Isopropyl-2-(4-nitrophényl)-1,3-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Oxazolone, 4-(1-methylethyl)-2-(4-nitrophenyl)- [ACD/Index Name]
14051-62-8 [RN]
4-NITROBENZOYLVALINE AZLACTONE
5(4H)-Oxazolone,4-(1-methylethyl)-2-(4-nitrophenyl)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 361.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 172.4±28.4 °C
Index of Refraction: 1.617
Molar Refractivity: 63.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.71
ACD/KOC (pH 5.5): 214.73
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.71
ACD/KOC (pH 7.4): 214.77
Polar Surface Area: 84 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 180.9±7.0 cm3

Click to predict properties on the Chemicalize site


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