ChemSpider 2D Image | 6,7-Difluoro-3-[(1-isopropyl-1H-tetrazol-5-yl)methyl]-4(3H)-quinazolinone | C13H12F2N6O

6,7-Difluoro-3-[(1-isopropyl-1H-tetrazol-5-yl)methyl]-4(3H)-quinazolinone

  • Molecular FormulaC13H12F2N6O
  • Average mass306.271 Da
  • Monoisotopic mass306.104065 Da
  • ChemSpider ID78686359

More details:

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

4(3H)-Quinazolinone, 6,7-difluoro-3-[[1-(1-methylethyl)-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
6,7-Difluor-3-[(1-isopropyl-1H-tetrazol-5-yl)methyl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
6,7-Difluoro-3-[(1-isopropyl-1H-tetrazol-5-yl)methyl]-4(3H)-quinazolinone [ACD/IUPAC Name]
6,7-Difluoro-3-[(1-isopropyl-1H-tétrazol-5-yl)méthyl]-4(3H)-quinazolinone [French] [ACD/IUPAC 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: 545.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.9±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 75.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 48.71
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 48.72
Polar Surface Area: 76 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 198.2±7.0 cm3

Click to predict properties on the Chemicalize site


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