ChemSpider 2D Image | 2-[4-(1H-Tetrazol-5-yl)phenyl]-4H-chromen-4-one | C16H10N4O2

2-[4-(1H-Tetrazol-5-yl)phenyl]-4H-chromen-4-one

  • Molecular FormulaC16H10N4O2
  • Average mass290.276 Da
  • Monoisotopic mass290.080383 Da
  • ChemSpider ID22178233

More details:






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

2-[4-(1H-Tetrazol-5-yl)phenyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[4-(1H-Tetrazol-5-yl)phenyl]-4H-chromen-4-one [ACD/IUPAC Name]
2-[4-(1H-Tétrazol-5-yl)phényl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(1H-tetrazol-5-yl)phenyl]- [ACD/Index Name]
1VG
2-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-4H-chromen-4-one
2-[4-(1H-Tetrazol-5-yl)phenyl]-4H-chromen-4-on

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

Density: 1.4±0.1 g/cm3
Boiling Point: 528.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.3±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 14.20
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.93
Polar Surface Area: 81 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 202.6±3.0 cm3

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