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Search term: ZPTXVIWXGDGGTD-SJORKVTESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3,4-Dichloro-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]benzamide | C19H16Cl2N2O3

3,4-Dichloro-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]benzamide

  • Molecular FormulaC19H16Cl2N2O3
  • Average mass391.248 Da
  • Monoisotopic mass390.053802 Da
  • ChemSpider ID23334826

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,4-Dichlor-N-[(3S,4R)-6-cyan-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]benzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]benzamide [ACD/IUPAC Name]
3,4-Dichloro-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-4-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4-dichloro-N-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]- [ACD/Index Name]
3,4-dichloro-N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)benzamide
CHEMBL508490
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508490/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 552.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 471.96
ACD/KOC (pH 5.5): 2854.85
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 471.94
ACD/KOC (pH 7.4): 2854.74
Polar Surface Area: 82 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 270.3±5.0 cm3

Click to predict properties on the Chemicalize site


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