ChemSpider 2D Image | Cefoxazole | C21H18ClN3O7S

Cefoxazole

  • Molecular FormulaC21H18ClN3O7S
  • Average mass491.901 Da
  • Monoisotopic mass491.055389 Da
  • ChemSpider ID24958649

More details:

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

3-(Acetoxymethyl)-7-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
3-(Acetoxymethyl)-7-({[3-(2-chlorphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-8-oxo- [ACD/Index Name]
Acide 3-(acétoxyméthyl)-7-({[3-(2-chlorophényl)-5-méthyl-1,2-oxazol-4-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
Cefoxazole [INN]
BN10X2TL6I

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

Density: 1.6±0.1 g/cm3
Boiling Point: 763.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 415.7±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 306.3±5.0 cm3

Click to predict properties on the Chemicalize site


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