ChemSpider 2D Image | 2,2-DICHLORO-1-METHANESULFINYL-3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-(4-BROMO-PHENYL)-ETHYL]-AMIDE | C14H16BrCl2NO2S

2,2-DICHLORO-1-METHANESULFINYL-3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-(4-BROMO-PHENYL)-ETHYL]-AMIDE

  • Molecular FormulaC14H16BrCl2NO2S
  • Average mass413.157 Da
  • Monoisotopic mass410.946198 Da
  • ChemSpider ID26330291

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S)-N-[(1S)-1-(4-Bromophenyl)ethyl]-2,2-dichloro-3-methyl-1-(methylsulfinyl)cyclopropanecarboxamide [ACD/IUPAC Name]
(1R,3S)-N-[(1S)-1-(4-Bromophényl)éthyl]-2,2-dichloro-3-méthyl-1-(méthylsulfinyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
(1R,3S)-N-[(1S)-1-(4-Bromphenyl)ethyl]-2,2-dichlor-3-methyl-1-(methylsulfinyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
2,2-DICHLORO-1-METHANESULFINYL-3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-(4-BROMO-PHENYL)-ETHYL]-AMIDE
Cyclopropanecarboxamide, N-[(1S)-1-(4-bromophenyl)ethyl]-2,2-dichloro-3-methyl-1-(methylsulfinyl)-, (1R,3S)- [ACD/Index Name]
(1R,3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,2-dichloro-1-[(S)-methanesulfinyl]-3-methylcyclopropane-1-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 634.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.7±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.61
ACD/KOC (pH 5.5): 1169.25
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.61
ACD/KOC (pH 7.4): 1169.24
Polar Surface Area: 65 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 255.5±5.0 cm3

Click to predict properties on the Chemicalize site


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