ChemSpider 2D Image | 7-Fluoro-6-nitro-3,4-dihydro-2H-1,4-benzoxazine | C8H7FN2O3

7-Fluoro-6-nitro-3,4-dihydro-2H-1,4-benzoxazine

  • Molecular FormulaC8H7FN2O3
  • Average mass198.151 Da
  • Monoisotopic mass198.044067 Da
  • ChemSpider ID31103272

More details:

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

2H-1,4-Benzoxazine, 7-fluoro-3,4-dihydro-6-nitro- [ACD/Index Name]
7-Fluor-6-nitro-3,4-dihydro-2H-1,4-benzoxazin [German] [ACD/IUPAC Name]
7-Fluoro-6-nitro-3,4-dihydro-2H-1,4-benzoxazine [ACD/IUPAC Name]
7-Fluoro-6-nitro-3,4-dihydro-2H-1,4-benzoxazine [French] [ACD/IUPAC Name]
122138-83-4 [RN]
7-fluoro-6-nitro-3,4-dihydro-2h-benzo[b][1,4]oxazine
MFCD23379858 [MDL number]
  • Miscellaneous

    • Safety:

      26-37-60 Alfa Aesar H61065
      36/37/38 Alfa Aesar H61065
      H315-H319-H335 Alfa Aesar H61065
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H61065
      Warning Alfa Aesar H61065

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

Density: 1.4±0.1 g/cm3
Boiling Point: 341.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 160.0±27.9 °C
Index of Refraction: 1.564
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.73
ACD/KOC (pH 5.5): 384.85
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.79
ACD/KOC (pH 7.4): 385.58
Polar Surface Area: 67 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 139.4±3.0 cm3

Click to predict properties on the Chemicalize site


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