Found 16 results

Search term: MF = 'C_{9}H_{8}Br_{2}N_{4}O_{2}'
ChemSpider 2D Image | 1-{[5-(Aminomethyl)-1,2,4-oxadiazol-3-yl]methyl}-3,5-dibromo-2(1H)-pyridinone | C9H8Br2N4O2

1-{[5-(Aminomethyl)-1,2,4-oxadiazol-3-yl]methyl}-3,5-dibromo-2(1H)-pyridinone

  • Molecular FormulaC9H8Br2N4O2
  • Average mass363.993 Da
  • Monoisotopic mass361.901398 Da
  • ChemSpider ID72266645

More details:

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

1-{[5-(Aminomethyl)-1,2,4-oxadiazol-3-yl]methyl}-3,5-dibrom-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1-{[5-(Aminomethyl)-1,2,4-oxadiazol-3-yl]methyl}-3,5-dibromo-2(1H)-pyridinone [ACD/IUPAC Name]
1-{[5-(Aminométhyl)-1,2,4-oxadiazol-3-yl]méthyl}-3,5-dibromo-2(1H)-pyridinone [French] [ACD/IUPAC Name]
2(1H)-Pyridinone, 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dibromo- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 455.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.3±31.5 °C
Index of Refraction: 1.711
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.97
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.11
Polar Surface Area: 85 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 91.0±3.0 dyne/cm
Molar Volume: 172.8±3.0 cm3

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