Found 1 result

Search term: QVCCDDRAHNCHNO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Chloro-6-[5-(4-methylphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzenediol | C15H11ClN2O2S

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

  • Molecular FormulaC15H11ClN2O2S
  • Average mass318.778 Da
  • Monoisotopic mass318.022980 Da
  • ChemSpider ID24690108

More details:

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

1,3-Benzenediol, 4-chloro-6-[5-(4-methylphenyl)-1,2,3-thiadiazol-4-yl]- [ACD/Index Name]
4-Chlor-6-[5-(4-methylphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-Chloro-6-[5-(4-methylphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-Chloro-6-[5-(4-méthylphényl)-1,2,3-thiadiazol-4-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457042/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 246.9±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 370.37
ACD/KOC (pH 5.5): 2337.45
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 40.69
ACD/KOC (pH 7.4): 256.78
Polar Surface Area: 94 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 221.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement