ChemSpider 2D Image | [7-Chloro-1,1-dioxido-2-(2,4,5-trifluorobenzyl)-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]acetic acid | C16H12ClF3N2O4S

[7-Chloro-1,1-dioxido-2-(2,4,5-trifluorobenzyl)-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]acetic acid

  • Molecular FormulaC16H12ClF3N2O4S
  • Average mass420.791 Da
  • Monoisotopic mass420.015839 Da
  • ChemSpider ID26380197

More details:

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

[7-Chlor-1,1-dioxido-2-(2,4,5-trifluorbenzyl)-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]essigsäure [German] [ACD/IUPAC Name]
[7-Chloro-1,1-dioxido-2-(2,4,5-trifluorobenzyl)-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]acetic acid [ACD/IUPAC Name]
4H-1,2,4-Benzothiadiazine-4-acetic acid, 7-chloro-2,3-dihydro-2-[(2,4,5-trifluorophenyl)methyl]-, 1,1-dioxide [ACD/Index Name]
Acide [7-chloro-1,1-dioxydo-2-(2,4,5-trifluorobenzyl)-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 610.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.1±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.55
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 260.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement