ChemSpider 2D Image | (S)-eniclobrate | C24H24ClNO3

(S)-eniclobrate

  • Molecular FormulaC24H24ClNO3
  • Average mass409.905 Da
  • Monoisotopic mass409.144470 Da
  • ChemSpider ID34992223

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[4-(4-Chlorobenzyl)phénoxy]-2-méthylbutanoate de 3-pyridinylméthyle [French] [ACD/IUPAC Name]
(S)-eniclobrate
3-Pyridinylmethyl (2S)-2-[4-(4-chlorobenzyl)phenoxy]-2-methylbutanoate [ACD/IUPAC Name]
3-Pyridinylmethyl-(2S)-2-[4-(4-chlorbenzyl)phenoxy]-2-methylbutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-, 3-pyridinylmethyl ester, (2S)- [ACD/Index Name]
81126-88-7 [RN]
eniclobrate [INN]
ENICLOBRATE, (S)-
UNII-M469UFX48N

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

85W472732Y [DBID]
UNII:85W472732Y [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.1±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 8886.01
ACD/KOC (pH 5.5): 22984.82
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9370.09
ACD/KOC (pH 7.4): 24236.96
Polar Surface Area: 48 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 344.8±3.0 cm3

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