Found 1 result

Search term: 1137729-12-4 (Found by synonym)
ChemSpider 2D Image | Diethyl 4'-(4-bromophenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate | C27H22BrN3O4

Diethyl 4'-(4-bromophenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate

  • Molecular FormulaC27H22BrN3O4
  • Average mass532.385 Da
  • Monoisotopic mass531.079346 Da
  • ChemSpider ID35519135

More details:

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

[2,2':6',2''-Terpyridine]-4,4''-dicarboxylic acid, 4'-(4-bromophenyl)-, diethyl ester [ACD/Index Name]
4'-(4-Bromophényl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 4'-(4-bromophenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate [ACD/IUPAC Name]
Diethyl-4'-(4-bromphenyl)-2,2':6',2''-terpyridin-4,4''-dicarboxylat [German] [ACD/IUPAC Name]
1137729-12-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 134.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19554.08
ACD/KOC (pH 5.5): 41044.19
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19554.46
ACD/KOC (pH 7.4): 41045.00
Polar Surface Area: 91 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 389.9±3.0 cm3

Click to predict properties on the Chemicalize site


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