ChemSpider 2D Image | Methyl (2E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)acrylate | C12H7F2NO4

Methyl (2E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)acrylate

  • Molecular FormulaC12H7F2NO4
  • Average mass267.185 Da
  • Monoisotopic mass267.034302 Da
  • ChemSpider ID29289436

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)acrylate de méthyle [French] [ACD/IUPAC Name]
1333488-95-1 [RN]
2-Propenoic acid, 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-propenoate
Methyl (2E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)acrylate [ACD/IUPAC Name]
Methyl (2E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate
Methyl (E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate
Methyl-(2E)-2-cyan-3-(2,2-difluor-1,3-benzodioxol-4-yl)acrylat [German] [ACD/IUPAC Name]
T56 BO DO CHJ CF CF F1UYCN&VO1 &&E Form [WLN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 346.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 163.3±27.9 °C
Index of Refraction: 1.545
Molar Refractivity: 57.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.29
ACD/KOC (pH 5.5): 623.12
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.29
ACD/KOC (pH 7.4): 623.12
Polar Surface Area: 69 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 182.4±5.0 cm3

Click to predict properties on the Chemicalize site


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