ChemSpider 2D Image | (4S)-6-Chloro-4-{(E)-2-[(2,2,3,3-~2~H_4_)cyclopropyl]vinyl}-4-(trifluoromethyl)-3,4-dihydro-2(1H)-quinazolinone | C14H8D4ClF3N2O

(4S)-6-Chloro-4-{(E)-2-[(2,2,3,3-2H4)cyclopropyl]vinyl}-4-(trifluoromethyl)-3,4-dihydro-2(1H)-quinazolinone

  • Molecular FormulaC14H8D4ClF3N2O
  • Average mass320.731 Da
  • Monoisotopic mass320.084137 Da
  • ChemSpider ID58783219

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-6-Chlor-4-{(E)-2-[(2,2,3,3-2H4)cyclopropyl]vinyl}-4-(trifluormethyl)-3,4-dihydro-2(1H)-chinazolinon [German] [ACD/IUPAC Name]
(4S)-6-Chloro-4-{(E)-2-[(2,2,3,3-2H4)cyclopropyl]vinyl}-4-(trifluoromethyl)-3,4-dihydro-2(1H)-quinazolinone [ACD/IUPAC Name]
(4S)-6-Chloro-4-{(E)-2-[(2,2,3,3-2H4)cyclopropyl]vinyl}-4-(trifluorométhyl)-3,4-dihydro-2(1H)-quinazolinone [French] [ACD/IUPAC Name]
2(1H)-Quinazolinone, 6-chloro-4-[(E)-2-(cyclopropyl-2,2,3,3-d4)ethenyl]-3,4-dihydro-4-(trifluoromethyl)-, (4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 357.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 170.1±27.9 °C
Index of Refraction: 1.651
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 785.84
ACD/KOC (pH 5.5): 4112.18
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 782.56
ACD/KOC (pH 7.4): 4095.04
Polar Surface Area: 41 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 205.1±3.0 cm3

Click to predict properties on the Chemicalize site


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