Found 7 results

Search term: IUOKJNROJISWRO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (S,R)-fenoxanil | C15H18Cl2N2O2

(S,R)-fenoxanil

  • Molecular FormulaC15H18Cl2N2O2
  • Average mass329.222 Da
  • Monoisotopic mass328.074524 Da
  • ChemSpider ID34448928

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-[(2R)-2-Cyan-3-methyl-2-butanyl]-2-(2,4-dichlorphenoxy)propanamid [German] [ACD/IUPAC Name]
(2S)-N-[(2R)-2-Cyano-3-methyl-2-butanyl]-2-(2,4-dichlorophenoxy)propanamide [ACD/IUPAC Name]
(2S)-N-[(2R)-2-Cyano-3-méthyl-2-butanyl]-2-(2,4-dichlorophénoxy)propanamide [French] [ACD/IUPAC Name]
(S,R)-fenoxanil
Propanamide, N-[(1R)-1-cyano-1,2-dimethylpropyl]-2-(2,4-dichlorophenoxy)-, (2S)- [ACD/Index Name]
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dichlorophenoxy)propanamide
115852-48-7 [RN]
Fenoxanil
UNII-VES28A6VJ5
  • Miscellaneous

    • Chemical Class:

      The stereoisomer of <element>N</element>-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (<stereo>S</stereo>)-2-(2,4-dichlorophe noxy)propanoic acid with the amino group of (<stereo>R</stereo>)-2-amino-2,3-dimethylbutanenitrile. ChEBI CHEBI:84020
      The stereoisomer of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (S)-2-(2,4-dichlorophe; noxy)propanoic acid with the amino group of (R)-2-amino-2,3-dimethylbutanenitrile. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84020
      The stereoisomer of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (S)-2-(2,4-dichlorophenoxy)propanoic acid with the amino g roup of (R)-2-amino-2,3-dimethylbutanenitrile. ChEBI CHEBI:84020

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

Density: 1.2±0.1 g/cm3
Boiling Point: 504.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 259.2±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 564.33
ACD/KOC (pH 5.5): 3244.52
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 564.28
ACD/KOC (pH 7.4): 3244.23
Polar Surface Area: 62 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 269.5±3.0 cm3

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