ChemSpider 2D Image | N-[Cyano(3,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide | C12H7Cl2N3OS

N-[Cyano(3,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide

  • Molecular FormulaC12H7Cl2N3OS
  • Average mass312.174 Da
  • Monoisotopic mass310.968689 Da
  • ChemSpider ID65055466

More details:

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

4-Thiazolecarboxamide, N-[cyano(3,4-dichlorophenyl)methyl]- [ACD/Index Name]
N-[Cyan(3,4-dichlorphenyl)methyl]-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[Cyano(3,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
N-[Cyano(3,4-dichlorophényl)méthyl]-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
2094856-54-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.25
ACD/KOC (pH 5.5): 817.45
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.13
ACD/KOC (pH 7.4): 816.23
Polar Surface Area: 94 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 207.7±3.0 cm3

Click to predict properties on the Chemicalize site


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