ChemSpider 2D Image | [1,1-Dioxido-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid | C17H12F3NO4S

[1,1-Dioxido-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid

  • Molecular FormulaC17H12F3NO4S
  • Average mass383.342 Da
  • Monoisotopic mass383.043915 Da
  • ChemSpider ID30657705

More details:

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

[1,1-Dioxido-2-(2,4,5-trifluorbenzyl)-2H-1,2-benzothiazin-4-yl]essigsäure [German] [ACD/IUPAC Name]
[1,1-Dioxido-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid [ACD/IUPAC Name]
2H-1,2-Benzothiazine-4-acetic acid, 2-[(2,4,5-trifluorophenyl)methyl]-, 1,1-dioxide [ACD/Index Name]
Acide [1,1-dioxydo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 555.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.5±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 13.45
ACD/KOC (pH 5.5): 97.26
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 83 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement