Found 23 results

Search term: MF = 'C_{18}H_{12}IN_{3}O'
ChemSpider 2D Image | (2E)-2-Cyano-3-(1H-indol-3-yl)-N-(3-iodophenyl)acrylamide | C18H12IN3O

(2E)-2-Cyano-3-(1H-indol-3-yl)-N-(3-iodophenyl)acrylamide

  • Molecular FormulaC18H12IN3O
  • Average mass413.212 Da
  • Monoisotopic mass413.002502 Da
  • ChemSpider ID81122670

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Cyan-3-(1H-indol-3-yl)-N-(3-iodphenyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-2-Cyano-3-(1H-indol-3-yl)-N-(3-iodophenyl)acrylamide [ACD/IUPAC Name]
(2E)-2-Cyano-3-(1H-indol-3-yl)-N-(3-iodophényl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 2-cyano-3-(1H-indol-3-yl)-N-(3-iodophenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 648.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.802
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 950.12
ACD/KOC (pH 5.5): 4710.78
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 949.92
ACD/KOC (pH 7.4): 4709.79
Polar Surface Area: 69 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 235.6±3.0 cm3

Click to predict properties on the Chemicalize site


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