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ChemSpider 2D Image | 4-chloro-3-((6-chloropyridin-3-yl)methyl)benzo[d]thiazol-2(3H)-one | C13H8Cl2N2OS

4-chloro-3-((6-chloropyridin-3-yl)methyl)benzo[d]thiazol-2(3H)-one

  • Molecular FormulaC13H8Cl2N2OS
  • Average mass311.186 Da
  • Monoisotopic mass309.973450 Da
  • ChemSpider ID21112141

More details:

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

2(3H)-Benzothiazolone, 4-chloro-3-[(6-chloro-3-pyridinyl)methyl]- [ACD/Index Name]
4-Chlor-3-[(6-chlor-3-pyridinyl)methyl]-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
4-chloro-3-((6-chloropyridin-3-yl)methyl)benzo[d]thiazol-2(3H)-one
4-Chloro-3-[(6-chloro-3-pyridinyl)methyl]-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
4-Chloro-3-[(6-chloro-3-pyridinyl)méthyl]-1,3-benzothiazol-2(3H)-one [French] [ACD/IUPAC Name]
4-Chloro-3-[(6-chloropyridin-3-yl)methyl]-1,3-benzothiazol-2(3H)-one
MFCD07366171 [MDL number]

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 499.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.8±31.5 °C
Index of Refraction: 1.705
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 341.82
ACD/KOC (pH 5.5): 2266.20
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 341.82
ACD/KOC (pH 7.4): 2266.20
Polar Surface Area: 59 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 201.0±3.0 cm3

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