Found 49 results

Search term: MF = 'C_{13}H_{13}Br_{2}NO_{5}'
ChemSpider 2D Image | (4R)-1-[(2,4-Dibromophenoxy)acetyl]-4-hydroxy-D-proline | C13H13Br2NO5

(4R)-1-[(2,4-Dibromophenoxy)acetyl]-4-hydroxy-D-proline

  • Molecular FormulaC13H13Br2NO5
  • Average mass423.054 Da
  • Monoisotopic mass420.916046 Da
  • ChemSpider ID45311260

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-[(2,4-Dibromophenoxy)acetyl]-4-hydroxy-D-proline [ACD/IUPAC Name]
(4R)-1-[(2,4-Dibromphenoxy)acetyl]-4-hydroxy-D-prolin [German] [ACD/IUPAC Name]
(4R)-1-[2-(2,4-Dibromophénoxy)acétyl]-4-hydroxy-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-[2-(2,4-dibromophenoxy)acetyl]-4-hydroxy-, (4R)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 624.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.3±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 221.0±3.0 cm3

Click to predict properties on the Chemicalize site


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