ChemSpider 2D Image | (2Z)-3-(3,5-Dibromo-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acrylonitrile | C14H10Br2N2OS

(2Z)-3-(3,5-Dibromo-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acrylonitrile

  • Molecular FormulaC14H10Br2N2OS
  • Average mass414.115 Da
  • Monoisotopic mass411.888031 Da
  • ChemSpider ID32314402

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(3,5-Dibrom-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-(3,5-Dibromo-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-(3,5-Dibromo-2-méthoxyphényl)-2-(4-méthyl-1,3-thiazol-2-yl)acrylonitrile [French] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, α-[(3,5-dibromo-2-methoxyphenyl)methylene]-4-methyl-, (αZ)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 507.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.7±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3309.78
ACD/KOC (pH 5.5): 11509.23
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3310.34
ACD/KOC (pH 7.4): 11511.17
Polar Surface Area: 74 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 241.2±3.0 cm3

Click to predict properties on the Chemicalize site


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