ChemSpider 2D Image | (4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate | C9H5ClNO3S

(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate

  • Molecular FormulaC9H5ClNO3S
  • Average mass242.659 Da
  • Monoisotopic mass241.968414 Da
  • ChemSpider ID58170339

  • Charge - Charge

More details:

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

(4-Chlor-2-oxo-1,3-benzothiazol-3(2H)-yl)acetat [German] [ACD/IUPAC Name]
(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate [ACD/IUPAC Name]
(4-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acétate [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-, ion(1-) [ACD/Index Name]
benazolin(1-)
  • Miscellaneous

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

Density:
Boiling Point: 468.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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