ChemSpider 2D Image | (2R)-6,8-Dichloro-7-isobutoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid | C15H13Cl2F3O4

(2R)-6,8-Dichloro-7-isobutoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

  • Molecular FormulaC15H13Cl2F3O4
  • Average mass385.163 Da
  • Monoisotopic mass384.014313 Da
  • ChemSpider ID25057055

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-6,8-Dichlor-7-isobutoxy-2-(trifluormethyl)-2H-chromen-3-carbonsäure [German] [ACD/IUPAC Name]
(2r)-6,8-Dichloro-7-(2-Methylpropoxy)-2-(Trifluoromethyl)-2h-Chromene-3-Carboxylic Acid
(2R)-6,8-Dichloro-7-isobutoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid [ACD/IUPAC Name]
2H-1-Benzopyran-3-carboxylic acid, 6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-, (2R)- [ACD/Index Name]
Acide (2R)-6,8-dichloro-7-isobutoxy-2-(trifluorométhyl)-2H-chromène-3-carboxylique [French] [ACD/IUPAC Name]
D72

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

Density: 1.5±0.1 g/cm3
Boiling Point: 444.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 222.5±28.7 °C
Index of Refraction: 1.530
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 8.55
ACD/KOC (pH 5.5): 31.28
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 56 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 261.7±3.0 cm3

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