ChemSpider 2D Image | (6R,7S)-7-Amino-3-fluoro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C8H9FN2O3

(6R,7S)-7-Amino-3-fluoro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC8H9FN2O3
  • Average mass200.167 Da
  • Monoisotopic mass200.059723 Da
  • ChemSpider ID24197752

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7S)-7-Amino-3-fluor-8-oxo-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7S)-7-Amino-3-fluoro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-fluoro-8-oxo-, (6R,7S)- [ACD/Index Name]
Acide (6R,7S)-7-amino-3-fluoro-8-oxo-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
183383-89-3 [RN]
1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-fluoro-8-oxo-, (6R-trans)- (9CI)
1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLICACID, 7-AMINO-3-FLUORO-8-OXO-, (6R-TRANS)- (9CI)
1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-amino-3-fluoro-8-oxo-,(6R-trans)-(9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 395.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 70.9±6.0 kJ/mol
Flash Point: 193.0±27.9 °C
Index of Refraction: 1.617
Molar Refractivity: 43.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.13
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 125.2±5.0 cm3

Click to predict properties on the Chemicalize site


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