ChemSpider 2D Image | 1,3-Benzothiazol-2-ylmethyl (2-chloro-4-fluorophenoxy)acetate | C16H11ClFNO3S

1,3-Benzothiazol-2-ylmethyl (2-chloro-4-fluorophenoxy)acetate

  • Molecular FormulaC16H11ClFNO3S
  • Average mass351.780 Da
  • Monoisotopic mass351.013214 Da
  • ChemSpider ID22290507

More details:

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

(2-Chloro-4-fluorophénoxy)acétate de 1,3-benzothiazol-2-ylméthyle [French] [ACD/IUPAC Name]
1,3-Benzothiazol-2-ylmethyl (2-chloro-4-fluorophenoxy)acetate [ACD/IUPAC Name]
1,3-Benzothiazol-2-ylmethyl-(2-chlor-4-fluorphenoxy)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-(2-chloro-4-fluorophenoxy)-, 2-benzothiazolylmethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 482.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.4±27.3 °C
Index of Refraction: 1.639
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1003.16
ACD/KOC (pH 5.5): 4897.55
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1003.16
ACD/KOC (pH 7.4): 4897.58
Polar Surface Area: 77 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 243.6±3.0 cm3

Click to predict properties on the Chemicalize site


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