ChemSpider 2D Image | 6-Bromo-2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline | C10H12BrNO2S

6-Bromo-2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC10H12BrNO2S
  • Average mass290.177 Da
  • Monoisotopic mass288.977203 Da
  • ChemSpider ID24598021

More details:

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

1046816-12-9 [RN]
6-Brom-2-(methylsulfonyl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
6-Bromo-2-(méthylsulfonyl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
6-Bromo-2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 6-bromo-1,2,3,4-tetrahydro-2-(methylsulfonyl)- [ACD/Index Name]
6-Bromo-2-(methanesulfonyl)-1,2,3,4-tetrahydroisoquinoline
6-Bromo-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline
6-bromo-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
MFCD11109847

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

Density: 1.6±0.1 g/cm3
Boiling Point: 398.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 195.0±30.7 °C
Index of Refraction: 1.643
Molar Refractivity: 63.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 56.07
ACD/KOC (pH 5.5): 621.35
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 56.07
ACD/KOC (pH 7.4): 621.35
Polar Surface Area: 46 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 176.0±5.0 cm3

Click to predict properties on the Chemicalize site


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