ChemSpider 2D Image | 4-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenethoxy)quinazoline | C18H13F3N4O

4-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenethoxy)quinazoline

  • Molecular FormulaC18H13F3N4O
  • Average mass358.317 Da
  • Monoisotopic mass358.104156 Da
  • ChemSpider ID28558499

More details:






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

173219-33-5 [RN]
4-(2-{4-[3-(Trifluormethyl)-3H-diaziren-3-yl]phenyl}ethoxy)chinazolin [German] [ACD/IUPAC Name]
4-(2-{4-[3-(Trifluoromethyl)-3H-diaziren-3-yl]phenyl}ethoxy)quinazoline [ACD/IUPAC Name]
4-(2-{4-[3-(Trifluorométhyl)-3H-diazirén-3-yl]phényl}éthoxy)quinazoline [French] [ACD/IUPAC Name]
4-(4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenethoxy)quinazoline
Quinazoline, 4-[2-[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]ethoxy]- [ACD/Index Name]
QUINAZOLINE,4-[2-[4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]PHENYL]ETHOXY]-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 479.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 243.5±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 89.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1735.41
ACD/KOC (pH 5.5): 7242.91
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1741.65
ACD/KOC (pH 7.4): 7268.93
Polar Surface Area: 60 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 253.0±7.0 cm3

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