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Search term: UMVZNLSSQJIIGQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-{1-[(4,5-Dibromo-2-furyl)methyl]-3-azetidinyl}-1H-1,2,3-triazole-4-carboxylic acid | C11H10Br2N4O3

1-{1-[(4,5-Dibromo-2-furyl)methyl]-3-azetidinyl}-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC11H10Br2N4O3
  • Average mass406.030 Da
  • Monoisotopic mass403.911957 Da
  • ChemSpider ID52302542

More details:






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

1-{1-[(4,5-Dibrom-2-furyl)methyl]-3-azetidinyl}-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-{1-[(4,5-Dibromo-2-furyl)methyl]-3-azetidinyl}-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[1-[(4,5-dibromo-2-furanyl)methyl]-3-azetidinyl]- [ACD/Index Name]
Acide 1-{1-[(4,5-dibromo-2-furyl)méthyl]-3-azétidinyl}-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 546.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.3±32.9 °C
Index of Refraction: 1.804
Molar Refractivity: 77.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 78.5±7.0 dyne/cm
Molar Volume: 181.4±7.0 cm3

Click to predict properties on the Chemicalize site






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