ChemSpider 2D Image | 4-Bromo-6-(trifluoromethyl)-1(2H)-isoquinolinone | C10H5BrF3NO

4-Bromo-6-(trifluoromethyl)-1(2H)-isoquinolinone

  • Molecular FormulaC10H5BrF3NO
  • Average mass292.052 Da
  • Monoisotopic mass290.950653 Da
  • ChemSpider ID24582413

More details:

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

1(2H)-Isoquinolinone, 4-bromo-6-(trifluoromethyl)- [ACD/Index Name]
1227608-00-5 [RN]
4-Brom-6-(trifluormethyl)-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
4-Bromo-6-(trifluorométhyl)-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
4-Bromo-6-(trifluoromethyl)-1(2H)-isoquinolinone [ACD/IUPAC Name]
4-Bromo-6-(trifluoromethyl)isoquinolin-1(2H)-one
[1227608-00-5] [RN]
4-bromo-6-(trifluoromethyl)-2H-isoquinolin-1-one
4-bromo-6-(trifluoromethyl)isoquinolin-1-ol
MFCD14706175 [MDL number]

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

CCRIS 4693 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 408.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.7±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.05
ACD/KOC (pH 5.5): 556.36
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.92
ACD/KOC (pH 7.4): 554.90
Polar Surface Area: 29 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 168.0±3.0 cm3

Click to predict properties on the Chemicalize site


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