Molecular Structure of 3H-[1,2,3]Triazolo[4,5-d]pyrimidin-7-ol (CAS No.53472-18-7):
Molecular Formula: C9H7BrN2
Molecular Weight: 223.0693
Systematic Name: 5-Bromoquinolin-8-amine
CAS No: 53472-18-7
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 16.13 Å2
Index of Refraction: 1.732
Molar Refractivity: 54.11 cm3
Molar Volume: 135.2 cm3
Surface Tension: 63.3 dyne/cm
Density: 1.649 g/cm3
Flash Point: 167.5 °C
Enthalpy of Vaporization: 59.83 kJ/mol
Boiling Point: 353.3 °C at 760 mmHg
Vapour Pressure: 3.61E-05 mmHg at 25°C
InChI: InChI=1/C9H7BrN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2
InChIKey: GEABITRRZOHARP-UHFFFAOYAL
Std. InChI: InChI=1S/C9H7BrN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2
Std. InChIKey: GEABITRRZOHARP-UHFFFAOYSA-N
Product Categories: Quinoline Isoquinoline
3H-[1,2,3]Triazolo[4,5-d]pyrimidin-7-ol (CAS No.53472-18-7), it also can be called 5-Bromo-8-aminoquinoline ; 8-Quinolinamine, 5-bromo- ; Quinolin-8-amine, 5-bromo- .
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