ChemSpider 2D Image | 5-Chloro-2,1-benzoxazol-3(1H)-one | C7H4ClNO2

5-Chloro-2,1-benzoxazol-3(1H)-one

  • Molecular FormulaC7H4ClNO2
  • Average mass169.565 Da
  • Monoisotopic mass168.993057 Da
  • ChemSpider ID19239523

More details:






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

2,1-Benzisoxazol-3(1H)-one, 5-chloro- [ACD/Index Name]
5-Chlor-2,1-benzoxazol-3(1H)-on [German] [ACD/IUPAC Name]
5-Chloro-2,1-benzoxazol-3(1H)-one [ACD/IUPAC Name]
5-Chloro-2,1-benzoxazol-3(1H)-one [French] [ACD/IUPAC Name]
344779-31-3 [RN]
5-chloro-1H-2,1-benzoxazol-3-one
5-Chlorobenzo[c]isoxazol-3(1H)-one
http://en.atomaxchem.com/344779-31-3.html
MFCD20134025 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 297.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 133.7±27.9 °C
Index of Refraction: 1.603
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.45
ACD/KOC (pH 5.5): 312.34
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.45
ACD/KOC (pH 7.4): 312.34
Polar Surface Area: 38 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 114.0±3.0 cm3

Click to predict properties on the Chemicalize site






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