ChemSpider 2D Image | Methyl 1-(trifluoromethyl)-3-isoquinolinecarboxylate | C12H8F3NO2

Methyl 1-(trifluoromethyl)-3-isoquinolinecarboxylate

  • Molecular FormulaC12H8F3NO2
  • Average mass255.193 Da
  • Monoisotopic mass255.050720 Da
  • ChemSpider ID28290173

More details:

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

1-(Trifluorométhyl)-3-isoquinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
1006707-71-6 [RN]
3-Isoquinolinecarboxylic acid, 1-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 1-(trifluoromethyl)-3-isoquinolinecarboxylate [ACD/IUPAC Name]
methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate
Methyl-1-(trifluormethyl)-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
[1006707-71-6] [RN]
methyl1-(trifluoromethyl)isoquinoline-3-carboxylate
METHYL-1-(TRIFLUOROMETHYL)ISOQUINOLINE-3-CARBOXYLATE
MFCD20921914 [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: 1.4±0.1 g/cm3
Boiling Point: 343.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.5±27.9 °C
Index of Refraction: 1.539
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.49
ACD/KOC (pH 5.5): 861.41
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.49
ACD/KOC (pH 7.4): 861.41
Polar Surface Area: 39 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 188.2±3.0 cm3

Click to predict properties on the Chemicalize site


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