ChemSpider 2D Image | 1-[2-Nitro-5-(trifluoromethyl)phenyl]ethanone | C9H6F3NO3

1-[2-Nitro-5-(trifluoromethyl)phenyl]ethanone

  • Molecular FormulaC9H6F3NO3
  • Average mass233.144 Da
  • Monoisotopic mass233.029984 Da
  • ChemSpider ID24583715

More details:

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

1-[2-Nitro-5-(trifluormethyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[2-Nitro-5-(trifluoromethyl)phenyl]ethanone [ACD/IUPAC Name]
1-[2-Nitro-5-(trifluorométhyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-nitro-5-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(2-Nitro-5-(trifluoromethyl)phenyl)ethanone
1227604-55-8 [RN]
2'-Nitro-5'-(trifluoromethyl)acetophenone
MFCD16606401

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

Density: 1.4±0.1 g/cm3
Boiling Point: 279.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 122.7±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: 2.37
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.19
ACD/KOC (pH 5.5): 523.96
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.19
ACD/KOC (pH 7.4): 523.96
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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