ChemSpider 2D Image | (2Z)-[1,1-Dioxido-2-(2,4,5-trifluorobenzyl)-2,3-dihydro-4H-1,2-benzothiazin-4-ylidene]acetic acid | C17H12F3NO4S

(2Z)-[1,1-Dioxido-2-(2,4,5-trifluorobenzyl)-2,3-dihydro-4H-1,2-benzothiazin-4-ylidene]acetic acid

  • Molecular FormulaC17H12F3NO4S
  • Average mass383.342 Da
  • Monoisotopic mass383.043915 Da
  • ChemSpider ID28490950
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-[1,1-Dioxido-2-(2,4,5-trifluorbenzyl)-2,3-dihydro-4H-1,2-benzothiazin-4-yliden]essigsäure [German] [ACD/IUPAC Name]
(2Z)-[1,1-Dioxido-2-(2,4,5-trifluorobenzyl)-2,3-dihydro-4H-1,2-benzothiazin-4-ylidene]acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[2,3-dihydro-1,1-dioxido-2-[(2,4,5-trifluorophenyl)methyl]-4H-1,2-benzothiazin-4-ylidene]-, (2Z)- [ACD/Index Name]
Acide (2Z)-[1,1-dioxydo-2-(2,4,5-trifluorobenzyl)-2,3-dihydro-4H-1,2-benzothiazin-4-ylidène]acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 552.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.7±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.51
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 236.7±3.0 cm3

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