ChemSpider 2D Image | 1-[4-Nitro-3-(trifluoromethyl)phenyl]ethanone | C9H6F3NO3

1-[4-Nitro-3-(trifluoromethyl)phenyl]ethanone

  • Molecular FormulaC9H6F3NO3
  • Average mass233.144 Da
  • Monoisotopic mass233.029984 Da
  • ChemSpider ID11328905

More details:

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

1-[4-Nitro-3-(trifluormethyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[4-Nitro-3-(trifluoromethyl)phenyl]ethanone [ACD/IUPAC Name]
1-[4-Nitro-3-(trifluorométhyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-nitro-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(4-Nitro-3-(trifluoromethyl)phenyl)ethanone
1-[4-Nitro-3-(trifluoromethyl)phenyl]-1-ethanone
343564-13-6 [RN]
4'-Nitro-3'-(trifluoromethyl)acetophenone
MFCD16606405

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

Density: 1.4±0.1 g/cm3
Boiling Point: 267.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 115.5±27.3 °C
Index of Refraction: 1.487
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.22
ACD/KOC (pH 5.5): 549.47
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.22
ACD/KOC (pH 7.4): 549.47
Polar Surface Area: 63 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 166.3±3.0 cm3

Click to predict properties on the Chemicalize site


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