Found 213 results

Search term: MF = 'C_{13}H_{12}N_{4}O_{6}'
ChemSpider 2D Image | 3-{3-[(3-Methyl-1,2,4-oxadiazol-5-yl)oxy]propyl}-5-nitro-1,3-benzoxazol-2(3H)-one | C13H12N4O6

3-{3-[(3-Methyl-1,2,4-oxadiazol-5-yl)oxy]propyl}-5-nitro-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC13H12N4O6
  • Average mass320.258 Da
  • Monoisotopic mass320.075684 Da
  • ChemSpider ID30227161

More details:

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

2(3H)-Benzoxazolone, 3-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propyl]-5-nitro- [ACD/Index Name]
3-{3-[(3-Methyl-1,2,4-oxadiazol-5-yl)oxy]propyl}-5-nitro-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-{3-[(3-Methyl-1,2,4-oxadiazol-5-yl)oxy]propyl}-5-nitro-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-{3-[(3-Méthyl-1,2,4-oxadiazol-5-yl)oxy]propyl}-5-nitro-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 518.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.4±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.08
ACD/KOC (pH 5.5): 181.92
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.08
ACD/KOC (pH 7.4): 181.92
Polar Surface Area: 124 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 217.0±3.0 cm3

Click to predict properties on the Chemicalize site


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