Found 1 result

Search term: ClC=1OC(=CN1)C1=CC=C(C#N)C=C1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-(2-Chloro-1,3-oxazol-5-yl)benzonitrile | C10H5ClN2O

4-(2-Chloro-1,3-oxazol-5-yl)benzonitrile

  • Molecular FormulaC10H5ClN2O
  • Average mass204.613 Da
  • Monoisotopic mass204.009033 Da
  • ChemSpider ID96710870

More details:

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

4-(2-Chlor-1,3-oxazol-5-yl)benzonitril [German] [ACD/IUPAC Name]
4-(2-Chloro-1,3-oxazol-5-yl)benzonitrile [ACD/IUPAC Name]
4-(2-Chloro-1,3-oxazol-5-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(2-chloro-5-oxazolyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 390.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.7±28.4 °C
Index of Refraction: 1.615
Molar Refractivity: 51.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.22
ACD/KOC (pH 5.5): 340.68
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.22
ACD/KOC (pH 7.4): 340.68
Polar Surface Area: 50 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 146.5±5.0 cm3

Click to predict properties on the Chemicalize site


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