Molecular Structure of 2,4,7-Trichloroquinazoline (CAS NO.6625-94-1):
IUPAC Name: 2,4,7-trichloroquinazoline
Empirical Formula: C8H3Cl3N2
Molecular Weight: 233.4818
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 25.78 Å2
Index of Refraction: 1.677
Molar Refractivity: 54.96 cm3
Molar Volume: 145.8 cm3
Surface Tension: 60.6 dyne/cm
Density: 1.6 g/cm3
Flash Point: 169.6 °C
Enthalpy of Vaporization: 52.79 kJ/mol
Boiling Point: 309.1 °C at 760 mmHg
Vapour Pressure: 0.00119 mmHg at 25°C
SMILES: Clc2nc(Cl)nc1c2ccc(Cl)c1
InChI: InChI=1/C8H3Cl3N2/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H
2,4,7-Trichloroquinazoline , with CAS number of 6625-94-1, can be called quinazoline, 2,4,7-trichloro- .
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