Found 38 results

Search term: MF = 'C_{36}H_{29}ClN_{2}O_{6}'
ChemSpider 2D Image | 2-Amino-4-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-cyano-4H-chromen-7-yl 3,5-dimethyl-1-benzofuran-2-carboxylate | C36H29ClN2O6

2-Amino-4-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-cyano-4H-chromen-7-yl 3,5-dimethyl-1-benzofuran-2-carboxylate

  • Molecular FormulaC36H29ClN2O6
  • Average mass621.078 Da
  • Monoisotopic mass620.171387 Da
  • ChemSpider ID12018716

More details:

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

2-Amino-4-{4-[(4-chlorbenzyl)oxy]-3-ethoxyphenyl}-3-cyan-4H-chromen-7-yl-3,5-dimethyl-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
2-Amino-4-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-cyano-4H-chromen-7-yl 3,5-dimethyl-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
2-Benzofurancarboxylic acid, 3,5-dimethyl-, 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3-cyano-4H-1-benzopyran-7-yl ester [ACD/Index Name]
3,5-Diméthyl-1-benzofurane-2-carboxylate de 2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-éthoxyphényl}-3-cyano-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 785.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.0±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 306475.22
ACD/KOC (pH 5.5): 294157.41
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 306857.72
ACD/KOC (pH 7.4): 294524.53
Polar Surface Area: 117 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 446.5±5.0 cm3

Click to predict properties on the Chemicalize site


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