Found 38 results

Search term: MF = 'C_{21}H_{16}Br_{2}N_{2}O_{2}S'
ChemSpider 2D Image | (2E)-3-(3,5-Dibromo-2-hydroxyphenyl)-2-[4-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]acrylonitrile | C21H16Br2N2O2S

(2E)-3-(3,5-Dibromo-2-hydroxyphenyl)-2-[4-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]acrylonitrile

  • Molecular FormulaC21H16Br2N2O2S
  • Average mass520.237 Da
  • Monoisotopic mass517.929932 Da
  • ChemSpider ID125177626

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,5-Dibrom-2-hydroxyphenyl)-2-[4-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-(3,5-Dibromo-2-hydroxyphenyl)-2-[4-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]acrylonitrile [ACD/IUPAC Name]
(2E)-3-(3,5-Dibromo-2-hydroxyphényl)-2-[4-(4-méthoxy-2,5-diméthylphényl)-1,3-thiazol-2-yl]acrylonitrile [French] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, α-[(3,5-dibromo-2-hydroxyphenyl)methylene]-4-(4-methoxy-2,5-dimethylphenyl)-, (αE)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 597.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 314.8±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 112210.77
ACD/KOC (pH 5.5): 125182.39
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 3771.48
ACD/KOC (pH 7.4): 4207.46
Polar Surface Area: 94 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

Click to predict properties on the Chemicalize site


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