ChemSpider 2D Image | (11bS)-10-Bromo-11b-(2-fluorophenyl)-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one | C17H14BrFN2O2

(11bS)-10-Bromo-11b-(2-fluorophenyl)-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one

  • Molecular FormulaC17H14BrFN2O2
  • Average mass377.208 Da
  • Monoisotopic mass376.022247 Da
  • ChemSpider ID34992222

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11bS)-10-Brom-11b-(2-fluorphenyl)-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-on [German] [ACD/IUPAC Name]
(11bS)-10-Bromo-11b-(2-fluorophenyl)-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one [ACD/IUPAC Name]
(11bS)-10-Bromo-11b-(2-fluorophényl)-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-bromo-11b-(2-fluorophenyl)-2,3,7,11b-tetrahydro-, (11bS)- [ACD/Index Name]
59128-97-1 [RN]
Haloxazolam [JP15] [Wiki]
UNII-M448L2V8XP

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

Density: 1.6±0.1 g/cm3
Boiling Point: 506.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.3±30.1 °C
Index of Refraction: 1.691
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.35
ACD/KOC (pH 5.5): 1002.17
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.39
ACD/KOC (pH 7.4): 1002.58
Polar Surface Area: 42 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 229.3±5.0 cm3

Click to predict properties on the Chemicalize site


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