ChemSpider 2D Image | Ethyl 6-nitro-1,2-benzoxazole-3-carboxylate | C10H8N2O5

Ethyl 6-nitro-1,2-benzoxazole-3-carboxylate

  • Molecular FormulaC10H8N2O5
  • Average mass236.181 Da
  • Monoisotopic mass236.043320 Da
  • ChemSpider ID29773951

More details:

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

1,2-Benzisoxazole-3-carboxylic acid, 6-nitro-, ethyl ester [ACD/Index Name]
6-Nitro-1,2-benzoxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-nitro-1,2-benzoxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-nitro-1,2-benzoxazol-3-carboxylat [German] [ACD/IUPAC Name]
540750-26-3 [RN]
6-Nitrobenzisoxazole-3-carboxylic acid ethyl ester
7-Oxo-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbaldehyde [ACD/IUPAC Name]
Ethyl 6-nitrobenzo[d]isoxazole-3-carboxylate
MFCD20923246

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

Density: 1.4±0.1 g/cm3
Boiling Point: 395.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.3±22.3 °C
Index of Refraction: 1.609
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.82
ACD/KOC (pH 5.5): 239.72
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.82
ACD/KOC (pH 7.4): 239.72
Polar Surface Area: 98 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 165.8±3.0 cm3

Click to predict properties on the Chemicalize site


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