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Search term: 1218918-53-6 (Found by synonym)
ChemSpider 2D Image | Dimethyl 4'-(4-iodophenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate | C25H18IN3O4

Dimethyl 4'-(4-iodophenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate

  • Molecular FormulaC25H18IN3O4
  • Average mass551.333 Da
  • Monoisotopic mass551.034180 Da
  • ChemSpider ID35519148

More details:

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

[2,2':6',2''-Terpyridine]-4,4''-dicarboxylic acid, 4'-(4-iodophenyl)-, dimethyl ester [ACD/Index Name]
4'-(4-Iodophényl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4'-(4-iodophenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate [ACD/IUPAC Name]
Dimethyl-4'-(4-iodphenyl)-2,2':6',2''-terpyridin-4,4''-dicarboxylat [German] [ACD/IUPAC Name]
1218918-53-6 [RN]
Dimethyl 4'-(4-iodoophenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 635.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.8±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6028.95
ACD/KOC (pH 5.5): 17680.21
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6028.99
ACD/KOC (pH 7.4): 17680.35
Polar Surface Area: 91 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 362.8±3.0 cm3

Click to predict properties on the Chemicalize site


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