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Search term: XAJVHLQKZKUDPN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 1-(9-chloro-7,8-dioxo-2,3,7,8-tetrahydrobenzo[de]chromen-3-yl)-1H-1,2,3-triazole-4-carboxylate | C16H10ClN3O5

Methyl 1-(9-chloro-7,8-dioxo-2,3,7,8-tetrahydrobenzo[de]chromen-3-yl)-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC16H10ClN3O5
  • Average mass359.721 Da
  • Monoisotopic mass359.030884 Da
  • ChemSpider ID30836394

More details:

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

1-(9-Chloro-7,8-dioxo-2,3,7,8-tétrahydrobenzo[de]chromén-3-yl)-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(9-chloro-2,3,7,8-tetrahydro-7,8-dioxonaphtho[1,8-bc]pyran-3-yl)-, methyl ester [ACD/Index Name]
Methyl 1-(9-chloro-7,8-dioxo-2,3,7,8-tetrahydrobenzo[de]chromen-3-yl)-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(9-chlor-7,8-dioxo-2,3,7,8-tetrahydrobenzo[de]chromen-3-yl)-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 593.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.9±32.9 °C
Index of Refraction: 1.756
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.78
ACD/KOC (pH 5.5): 106.72
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 106.72
Polar Surface Area: 100 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 68.7±7.0 dyne/cm
Molar Volume: 209.6±7.0 cm3

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