ChemSpider 2D Image | (2-Chloro-1,3-benzoxazol-5-yl)acetonitrile | C9H5ClN2O

(2-Chloro-1,3-benzoxazol-5-yl)acetonitrile

  • Molecular FormulaC9H5ClN2O
  • Average mass192.602 Da
  • Monoisotopic mass192.009033 Da
  • ChemSpider ID45465836

More details:

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

(2-Chlor-1,3-benzoxazol-5-yl)acetonitril [German] [ACD/IUPAC Name]
(2-Chloro-1,3-benzoxazol-5-yl)acetonitrile [ACD/IUPAC Name]
(2-Chloro-1,3-benzoxazol-5-yl)acétonitrile [French] [ACD/IUPAC Name]
5-Benzoxazoleacetonitrile, 2-chloro- [ACD/Index Name]
1803803-44-2 [RN]
2-(2-Chlorobenzo[d]oxazol-5-yl)acetonitrile
2-Chlorobenzo[d]oxazole-5-acetonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 322.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.6±20.9 °C
Index of Refraction: 1.628
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.89
ACD/KOC (pH 5.5): 216.95
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.89
ACD/KOC (pH 7.4): 216.95
Polar Surface Area: 50 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 137.7±3.0 cm3

Click to predict properties on the Chemicalize site


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