Molecular Structure of Methyl 2,6-dichloro-4-iodobenzoate (CAS No.1098619-73-8):
Molecular Formula: C8H5Cl2IO2
Molecular Weight: 330.9346
CAS No: 1098619-73-8
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.618
Molar Refractivity: 60.72 cm3
Molar Volume: 173.3 cm3
Surface Tension: 49.4 dyne/cm
Density: 1.909 g/cm3
Flash Point: 158.6 °C
Enthalpy of Vaporization: 58.21 kJ/mol
Boiling Point: 338.7 °C at 760 mmHg
Vapour Pressure: 9.65E-05 mmHg at 25°C
InChI: InChI=1/C8H5Cl2IO2/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3H,1H3
InChIKey: WCQMCRSLVDSVIK-UHFFFAOYAU
Std. InChI: InChI=1S/C8H5Cl2IO2/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3H,1H3
Std. InChIKey: WCQMCRSLVDSVIK-UHFFFAOYSA-N
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