ChemSpider 2D Image | UNII:26515THS0L | C22H19Br2NO3

UNII:26515THS0L

  • Molecular FormulaC22H19Br2NO3
  • Average mass505.199 Da
  • Monoisotopic mass502.973145 Da
  • ChemSpider ID4955623

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3R)-3-(2,2-Dibromovinyl)-2,2-diméthylcyclopropanecarboxylate de (R)-cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
(R)-Cyan(3-phenoxyphenyl)methyl-(1R,3R)-3-(2,2-dibromvinyl)-2,2-dimethylcyclopropancarboxylat [German] [ACD/IUPAC Name]
(R)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate [ACD/IUPAC Name]
(R)-cyano(3-phenoxyphenyl)methyl ester(1R,3R)-rel-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)- [ACD/Index Name]
UNII:26515THS0L
(1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(R)-cyano-[3-(phenoxy)phenyl]methyl] ester
(1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid [(R)-cyano-[3-(phenoxy)phenyl]methyl] ester
(R)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate
[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RU 23938 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26237.58
ACD/KOC (pH 5.5): 50658.33
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26237.58
ACD/KOC (pH 7.4): 50658.33
Polar Surface Area: 59 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 316.7±3.0 cm3

Click to predict properties on the Chemicalize site


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