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Search term: FNXUQDCCJRKOFX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl 3-chlorobenzoate | C19H16ClNO4

6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl 3-chlorobenzoate

  • Molecular FormulaC19H16ClNO4
  • Average mass357.788 Da
  • Monoisotopic mass357.076782 Da
  • ChemSpider ID23334718

More details:

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

3-Chlorobenzoate de 6-cyano-3-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-4-yle [French] [ACD/IUPAC Name]
6-Cyan-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl-3-chlorbenzoat [German] [ACD/IUPAC Name]
6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl 3-chlorobenzoate [ACD/IUPAC Name]
Benzoic acid, 3-chloro-, 6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl ester [ACD/Index Name]
(±)-3-chlorophenyl 6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl carbonate
CHEMBL454369
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454369/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 502.4±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: 257.7±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 966.25
ACD/KOC (pH 5.5): 4767.89
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 966.24
ACD/KOC (pH 7.4): 4767.86
Polar Surface Area: 80 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 258.0±5.0 cm3

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