Found 145 results

Search term: MF = 'C_{9}H_{8}F_{3}N_{3}O_{5}'
ChemSpider 2D Image | 4-Nitro-1-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}-1H-pyrrole-2-carboxylic acid | C9H8F3N3O5

4-Nitro-1-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC9H8F3N3O5
  • Average mass295.172 Da
  • Monoisotopic mass295.041595 Da
  • ChemSpider ID38619219

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-nitro-1-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]- [ACD/Index Name]
4-Nitro-1-{2-oxo-2-[(2,2,2-trifluorethyl)amino]ethyl}-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4-Nitro-1-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-nitro-1-{2-oxo-2-[(2,2,2-trifluoroéthyl)amino]éthyl}-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 512.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.8±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 56.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 175.9±7.0 cm3

Click to predict properties on the Chemicalize site


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