Found 39 results

Search term: MF = 'C_{19}H_{13}Br_{2}NO'
ChemSpider 2D Image | (2Z)-3-[3,5-Dibromo-2-(2-propyn-1-yloxy)phenyl]-2-(4-methylphenyl)acrylonitrile | C19H13Br2NO

(2Z)-3-[3,5-Dibromo-2-(2-propyn-1-yloxy)phenyl]-2-(4-methylphenyl)acrylonitrile

  • Molecular FormulaC19H13Br2NO
  • Average mass431.121 Da
  • Monoisotopic mass428.936371 Da
  • ChemSpider ID68747705

  • 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-(2-propin-1-yloxy)phenyl]-2-(4-methylphenyl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-[3,5-Dibromo-2-(2-propyn-1-yloxy)phenyl]-2-(4-methylphenyl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-[3,5-Dibromo-2-(2-propyn-1-yloxy)phényl]-2-(4-méthylphényl)acrylonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[[3,5-dibromo-2-(2-propyn-1-yloxy)phenyl]methylene]-4-methyl-, (αZ)- [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: 508.2±50.0 °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: 261.1±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27595.41
ACD/KOC (pH 5.5): 52521.36
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27595.41
ACD/KOC (pH 7.4): 52521.36
Polar Surface Area: 33 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 275.3±3.0 cm3

Click to predict properties on the Chemicalize site


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