ChemSpider 2D Image | 1-[(7-Chloro-1,3-benzodioxol-5-yl)carbonyl]-D-proline | C13H12ClNO5

1-[(7-Chloro-1,3-benzodioxol-5-yl)carbonyl]-D-proline

  • Molecular FormulaC13H12ClNO5
  • Average mass297.691 Da
  • Monoisotopic mass297.040405 Da
  • ChemSpider ID40522366

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(7-Chlor-1,3-benzodioxol-5-yl)carbonyl]-D-prolin [German] [ACD/IUPAC Name]
1-[(7-Chloro-1,3-benzodioxol-5-yl)carbonyl]-D-proline [ACD/IUPAC Name]
1-[(7-Chloro-1,3-benzodioxol-5-yl)carbonyl]-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-[(7-chloro-1,3-benzodioxol-5-yl)carbonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 555.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.5±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 192.2±3.0 cm3

Click to predict properties on the Chemicalize site


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