ChemSpider 2D Image | N-[(3,4,5-Tribromo-1H-pyrrol-2-yl)carbonyl]-beta-alanine | C8H7Br3N2O3

N-[(3,4,5-Tribromo-1H-pyrrol-2-yl)carbonyl]-β-alanine

  • Molecular FormulaC8H7Br3N2O3
  • Average mass418.865 Da
  • Monoisotopic mass415.800659 Da
  • ChemSpider ID21128112

More details:

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

N-[(3,4,5-Tribrom-1H-pyrrol-2-yl)carbonyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(3,4,5-Tribromo-1H-pyrrol-2-yl)carbonyl]-β-alanine [ACD/IUPAC Name]
N-[(3,4,5-Tribromo-1H-pyrrol-2-yl)carbonyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(3,4,5-tribromo-1H-pyrrol-2-yl)carbonyl]- [ACD/Index Name]
3-[(3,4,5-TRIBROMO-1H-PYRROL-2-YL)FORMAMIDO]PROPANOIC ACID

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

Density: 2.3±0.1 g/cm3
Boiling Point: 530.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.6±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 23.80
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 184.3±3.0 cm3

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