Found 1 result

Search term: 78438771 (Found by CSID)
ChemSpider 2D Image | (2R)-2-[(2S)-2-Chloro-1-methoxy-5,6-dimethyl-5-hepten-2-yl]-5-indolinecarboxylic acid | C19H26ClNO3

(2R)-2-[(2S)-2-Chloro-1-methoxy-5,6-dimethyl-5-hepten-2-yl]-5-indolinecarboxylic acid

  • Molecular FormulaC19H26ClNO3
  • Average mass351.868 Da
  • Monoisotopic mass351.160126 Da
  • ChemSpider ID78438771

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[(2S)-2-Chlor-1-methoxy-5,6-dimethyl-5-hepten-2-yl]-5-indolincarbonsäure [German] [ACD/IUPAC Name]
(2R)-2-[(2S)-2-Chloro-1-methoxy-5,6-dimethyl-5-hepten-2-yl]-5-indolinecarboxylic acid [ACD/IUPAC Name]
1H-Indole-5-carboxylic acid, 2-[(1S)-1-chloro-1-(methoxymethyl)-4,5-dimethyl-4-hexen-1-yl]-2,3-dihydro-, (2R)- [ACD/Index Name]
Acide (2R)-2-[(2S)-2-chloro-1-méthoxy-5,6-diméthyl-5-heptén-2-yl]-5-indolinecarboxylique [French] [ACD/IUPAC Name]
A-503451 A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.4±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1470.29
ACD/KOC (pH 5.5): 4310.79
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 28.64
ACD/KOC (pH 7.4): 83.97
Polar Surface Area: 59 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 303.3±3.0 cm3

Click to predict properties on the Chemicalize site


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