ChemSpider 2D Image | 3-(4-Chlorophenyl)-6-(4-methoxybenzyl)-1,2,4,5-tetrazine | C16H13ClN4O

3-(4-Chlorophenyl)-6-(4-methoxybenzyl)-1,2,4,5-tetrazine

  • Molecular FormulaC16H13ClN4O
  • Average mass312.754 Da
  • Monoisotopic mass312.077789 Da
  • ChemSpider ID24737542

More details:

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

1,2,4,5-Tetrazine, 3-(4-chlorophenyl)-6-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
3-(4-Chlorophenyl)-6-(4-methoxybenzyl)-1,2,4,5-tetrazine [ACD/IUPAC Name]
3-(4-Chlorophényl)-6-(4-méthoxybenzyl)-1,2,4,5-tétrazine [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-6-(4-methoxybenzyl)-1,2,4,5-tetrazin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 521.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 269.4±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.05
ACD/KOC (pH 5.5): 1483.14
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.05
ACD/KOC (pH 7.4): 1483.16
Polar Surface Area: 61 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

Click to predict properties on the Chemicalize site


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