ChemSpider 2D Image | 1-(3-Bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline | C16H13BrClNO

1-(3-Bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline

  • Molecular FormulaC16H13BrClNO
  • Average mass350.638 Da
  • Monoisotopic mass348.986908 Da
  • ChemSpider ID24662684

More details:






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

1-(3-Bromophényl)-7-chloro-6-méthoxy-3,4-dihydroisoquinoléine [French] [ACD/IUPAC Name]
1-(3-Bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline [ACD/IUPAC Name]
1-(3-Bromphenyl)-7-chlor-6-methoxy-3,4-dihydroisochinolin [German] [ACD/IUPAC Name]
Isoquinoline, 1-(3-bromophenyl)-7-chloro-3,4-dihydro-6-methoxy- [ACD/Index Name]
01/01/6165
10.1016/j.bmcl.2009.02.098
SNB

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

Density: 1.5±0.1 g/cm3
Boiling Point: 440.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 220.4±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4544.82
ACD/KOC (pH 5.5): 13710.42
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5443.91
ACD/KOC (pH 7.4): 16422.72
Polar Surface Area: 22 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 236.9±7.0 cm3

Click to predict properties on the Chemicalize site






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