ChemSpider 2D Image | TH-9402 FREE BASE | C21H14Br2N2O3

TH-9402 FREE BASE

  • Molecular FormulaC21H14Br2N2O3
  • Average mass502.155 Da
  • Monoisotopic mass499.937103 Da
  • ChemSpider ID32698689

More details:

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

1373958-68-9 [RN]
2-(6-Amino-4,5-dibromo-3-imino-3H-xanthén-9-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(6-amino-4,5-dibromo-3-imino-3H-xanthen-9-yl)-, methyl ester [ACD/Index Name]
Methyl 2-(6-amino-4,5-dibromo-3-imino-3H-xanthen-9-yl)benzoate [ACD/IUPAC Name]
Methyl-2-(6-amino-4,5-dibrom-3-imino-3H-xanthen-9-yl)benzoat [German] [ACD/IUPAC Name]
TH-9402 FREE BASE
TH-9402

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

934QHK1OOK [DBID]
UNII:934QHK1OOK [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.713
Molar Refractivity: 111.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 42.57
ACD/KOC (pH 5.5): 183.60
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 918.01
ACD/KOC (pH 7.4): 3959.19
Polar Surface Area: 85 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 284.5±7.0 cm3

Click to predict properties on the Chemicalize site


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