ChemSpider 2D Image | 3-DECHLORO-3-BROMO TRAZODONE | C19H22BrN5O

3-DECHLORO-3-BROMO TRAZODONE

  • Molecular FormulaC19H22BrN5O
  • Average mass416.315 Da
  • Monoisotopic mass415.100769 Da
  • ChemSpider ID32697765

More details:

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

1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[3-[4-(3-bromophenyl)-1-piperazinyl]propyl]- [ACD/Index Name]
1263358-13-9 [RN]
2-{3-[4-(3-Bromophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
2-{3-[4-(3-Bromophényl)-1-pipérazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
2-{3-[4-(3-Bromphenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
3-DECHLORO-3-BROMO TRAZODONE
2-{3-[4-(3-bromophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
MFCD32662747

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

5862R5WA2P [DBID]
UNII:5862R5WA2P [DBID]
UNII-5862R5WA2P [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.4±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 107.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 17.50
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 47.91
ACD/KOC (pH 7.4): 489.82
Polar Surface Area: 42 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 282.1±7.0 cm3

Click to predict properties on the Chemicalize site


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