ChemSpider 2D Image | (4S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)(4a,5,6,7,8,8a-~13~C_6_)-1,4-dihydro-2H-3,1-benzoxazin-2-one | C813C6H9ClF3NO2

(4S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)(4a,5,6,7,8,8a-13C6)-1,4-dihydro-2H-3,1-benzoxazin-2-one

  • Molecular FormulaC813C6H9ClF3NO2
  • Average mass321.631 Da
  • Monoisotopic mass321.047516 Da
  • ChemSpider ID48244843

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-6-Chlor-4-(cyclopropylethinyl)-4-(trifluormethyl)(4a,5,6,7,8,8a-13C6)-1,4-dihydro-2H-3,1-benzoxazin-2-on [German] [ACD/IUPAC Name]
(4S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)(4a,5,6,7,8,8a-13C6)-1,4-dihydro-2H-3,1-benzoxazin-2-one [ACD/IUPAC Name]
(4S)-6-Chloro-4-(cyclopropyléthynyl)-4-(trifluorométhyl)(4a,5,6,7,8,8a-13C6)-1,4-dihydro-2H-3,1-benzoxazin-2-one [French] [ACD/IUPAC Name]
2H-3,1-Benzoxazin-2-one-4a,5,6,7,8,8a-13C6, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)- [ACD/Index Name]
1261394-62-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 68.4±0.4 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: 27.1±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 205.3±5.0 cm3

Click to predict properties on the Chemicalize site


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