ChemSpider 2D Image | 3-Bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile | C4H3BrN2O

3-Bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile

  • Molecular FormulaC4H3BrN2O
  • Average mass174.983 Da
  • Monoisotopic mass173.942871 Da
  • ChemSpider ID30803674

More details:

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

3-Brom-4,5-dihydro-1,2-oxazol-5-carbonitril [German] [ACD/IUPAC Name]
3-Bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile [ACD/IUPAC Name]
3-Bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile [French] [ACD/IUPAC Name]
5-Isoxazolecarbonitrile, 3-bromo-4,5-dihydro- [ACD/Index Name]
1241953-58-1 [RN]
3-bromo-4,5-dihydroisoxazole-5-carbonitrile
atoms 8 bonds 8
MFCD26403775

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

Density: 2.0±0.1 g/cm3
Boiling Point: 270.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 117.6±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 32.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 39.18
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 39.18
Polar Surface Area: 45 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 88.6±7.0 cm3

Click to predict properties on the Chemicalize site


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