Molecular Structure of 5-Chloro-2,4-difluorophenylboronic acid (CAS No. 911645-24-4):
Systematic Name: (5-Chloro-2,4-difluorophenyl)boronic acid
Molecular Formula: C6H4BClF2O2
Molecular Weight: 192.3556
Index of Refraction: 1.511
Molar Refractivity: 38.34 cm3
Molar Volume: 127.9 cm3
Surface Tension: 40.8 dyne/cm
Density: 1.5 g/cm3
Flash Point: 133.5 °C
Enthalpy of Vaporization: 56.7 kJ/mol
Boiling Point: 297.1 °C at 760 mmHg
Vapour Pressure: 0.00062 mmHg at 25 °C
Melting Point: 218-222°C
Structure Descriptors:
SMILES: Fc1c(cc(Cl)c(F)c1)B(O)O
InChI: InChI=1/C6H4BClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,11-12H
InChIKey: NEZHJPAWXWRHBO-UHFFFAOYAC
Std. InChI: InChI=1S/C6H4BClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,11-12H
Std. InChIKey: NEZHJPAWXWRHBO-UHFFFAOYSA-N
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