ChemSpider 2D Image | (2S,11bR)-10-Chloro-2-methyl-11b-phenyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one | C18H17ClN2O2

(2S,11bR)-10-Chloro-2-methyl-11b-phenyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one

  • Molecular FormulaC18H17ClN2O2
  • Average mass328.793 Da
  • Monoisotopic mass328.097870 Da
  • ChemSpider ID28638794

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,11bR)-10-Chlor-2-methyl-11b-phenyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-on [German] [ACD/IUPAC Name]
(2S,11bR)-10-Chloro-2-methyl-11b-phenyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one [ACD/IUPAC Name]
(2S,11bR)-10-Chloro-2-méthyl-11b-phényl-2,3,7,11b-tétrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazépin-6(5H)-one [French] [ACD/IUPAC Name]
Oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one, 10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenyl-, (2S,11bR)- [ACD/Index Name]
24143-17-7 [RN]
246-032-0 [EINECS]
27167-30-2 [RN]
MFCD00058529 [MDL number]
Oxazolam [INN] [JP15]
trans-Oxazolam

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.7±28.7 °C
Index of Refraction: 1.668
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.54
ACD/KOC (pH 5.5): 1199.23
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.66
ACD/KOC (pH 7.4): 1200.27
Polar Surface Area: 42 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 239.7±5.0 cm3

Click to predict properties on the Chemicalize site


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