ChemSpider 2D Image | (3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H12ClFN2O2

(3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H12ClFN2O2
  • Average mass318.730 Da
  • Monoisotopic mass318.057129 Da
  • ChemSpider ID34991608

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-7-Chlor-5-(2-fluorphenyl)-3-hydroxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
(3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
(3S)-7-Chloro-5-(2-fluorophényl)-3-hydroxy-1-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-, (3S)- [ACD/Index Name]
257-892-1 [EINECS]
52391-89-6 [RN]
Flutemazepam [INN] [Wiki]
UNII-J8U5694BCW

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

WBI01JH8TR [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 81.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.11
ACD/KOC (pH 5.5): 319.21
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.11
ACD/KOC (pH 7.4): 319.20
Polar Surface Area: 53 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 226.1±7.0 cm3

Click to predict properties on the Chemicalize site


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