ChemSpider 2D Image | (S)-Cyano(3-phenoxyphenyl)methyl (2S)-2-[4-chloro(2-~14~C)phenyl]-3-methylbutanoate | C2414CH22ClNO3

(S)-Cyano(3-phenoxyphenyl)methyl (2S)-2-[4-chloro(2-14C)phenyl]-3-methylbutanoate

  • Molecular FormulaC2414CH22ClNO3
  • Average mass421.893 Da
  • Monoisotopic mass421.132050 Da
  • ChemSpider ID71048329

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-[4-Chloro(2-14C)phényl]-3-méthylbutanoate de (S)-cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
(S)-Cyan(3-phenoxyphenyl)methyl-(2S)-2-[4-chlor(2-14C)phenyl]-3-methylbutanoat [German] [ACD/IUPAC Name]
(S)-Cyano(3-phenoxyphenyl)methyl (2S)-2-[4-chloro(2-14C)phenyl]-3-methylbutanoate [ACD/IUPAC Name]
Benzene-2-14C-acetic acid, 4-chloro-α-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (αS)- [ACD/Index Name]
Spike compound 0000420

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 346.8±3.0 cm3

Click to predict properties on the Chemicalize site


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