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Search term: COc1ccc(cc1OC)-c1snnc1-c1cc(Cl)c(O)cc1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-Chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzenediol | C16H13ClN2O4S

4-Chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzenediol

  • Molecular FormulaC16H13ClN2O4S
  • Average mass364.803 Da
  • Monoisotopic mass364.028442 Da
  • ChemSpider ID24715525

More details:

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

1,3-Benzenediol, 4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]- [ACD/Index Name]
4-Chlor-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-Chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-Chloro-6-[5-(3,4-diméthoxyphényl)-1,2,3-thiadiazol-4-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515048/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 515.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 265.4±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 79.79
ACD/KOC (pH 5.5): 777.12
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 78.35
Polar Surface Area: 113 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 252.7±3.0 cm3

Click to predict properties on the Chemicalize site


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