Found 38 results

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

2-Amino-3-cyano-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-4H-chromen-7-yl 5-chloro-3,6-dimethyl-1-benzofuran-2-carboxylate

  • Molecular FormulaC36H29ClN2O6
  • Average mass621.078 Da
  • Monoisotopic mass620.171387 Da
  • ChemSpider ID12018517

More details:

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

2-Amino-3-cyan-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-4H-chromen-7-yl-5-chlor-3,6-dimethyl-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
2-Amino-3-cyano-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-4H-chromen-7-yl 5-chloro-3,6-dimethyl-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
2-Benzofurancarboxylic acid, 5-chloro-3,6-dimethyl-, 2-amino-3-cyano-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4H-1-benzopyran-7-yl ester [ACD/Index Name]
5-Chloro-3,6-diméthyl-1-benzofurane-2-carboxylate de 2-amino-3-cyano-4-{3-méthoxy-4-[(4-méthylbenzyl)oxy]phényl}-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: 787.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 430.0±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 290792.38
ACD/KOC (pH 5.5): 283307.22
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 291139.94
ACD/KOC (pH 7.4): 283645.84
Polar Surface Area: 117 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 446.1±5.0 cm3

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