Found 1432 results

Search term: MF = 'C_{12}H_{12}BrNOS'
ChemSpider 2D Image | 1-[2-(5-Bromo-2-thienyl)-1-pyrrolidinyl]-2-butyn-1-one | C12H12BrNOS

1-[2-(5-Bromo-2-thienyl)-1-pyrrolidinyl]-2-butyn-1-one

  • Molecular FormulaC12H12BrNOS
  • Average mass298.199 Da
  • Monoisotopic mass296.982300 Da
  • ChemSpider ID65056235

More details:

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

1-[2-(5-Brom-2-thienyl)-1-pyrrolidinyl]-2-butin-1-on [German] [ACD/IUPAC Name]
1-[2-(5-Bromo-2-thienyl)-1-pyrrolidinyl]-2-butyn-1-one [ACD/IUPAC Name]
1-[2-(5-Bromo-2-thiényl)-1-pyrrolidinyl]-2-butyn-1-one [French] [ACD/IUPAC Name]
2-Butyn-1-one, 1-[2-(5-bromo-2-thienyl)-1-pyrrolidinyl]- [ACD/Index Name]
1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]but-2-yn-1-one
2094159-78-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 381.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.4±30.7 °C
Index of Refraction: 1.617
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.50
ACD/KOC (pH 5.5): 970.26
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.50
ACD/KOC (pH 7.4): 970.26
Polar Surface Area: 49 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 197.2±3.0 cm3

Click to predict properties on the Chemicalize site


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