ChemSpider 2D Image | (2S)-6-Chloro-7-isobutyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid | C15H14ClF3O3

(2S)-6-Chloro-7-isobutyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

  • Molecular FormulaC15H14ClF3O3
  • Average mass334.718 Da
  • Monoisotopic mass334.058350 Da
  • ChemSpider ID26381863

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-6-Chlor-7-isobutyl-2-(trifluormethyl)-2H-chromen-3-carbonsäure [German] [ACD/IUPAC Name]
(2S)-6-Chloro-7-isobutyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid [ACD/IUPAC Name]
2H-1-Benzopyran-3-carboxylic acid, 6-chloro-7-(2-methylpropyl)-2-(trifluoromethyl)-, (2S)- [ACD/Index Name]
Acide (2S)-6-chloro-7-isobutyl-2-(trifluorométhyl)-2H-chromène-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 392.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 190.9±27.9 °C
Index of Refraction: 1.525
Molar Refractivity: 74.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 14.70
ACD/KOC (pH 5.5): 50.69
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.71
Polar Surface Area: 47 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 242.1±3.0 cm3

Click to predict properties on the Chemicalize site


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