Molecular Structure of 2-chloro-4-(5-fluoro-2-methylbenzamido)benzoic acid (CAS NO.168080-49-7):
Empirical Formula: C15H11ClFNO3
Molecular Weight: 307.7
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 66.4Å2
Index of Refraction: 1.646
Molar Refractivity: 77.47 cm3
Molar Volume: 213.2 cm3
Surface Tension: 58.4 dyne/cm
Density: 1.442 g/cm3
Flash Point: 195.1 °C
Enthalpy of Vaporization: 68.51 kJ/mol
Boiling Point: 399 °C at 760 mmHg
Vapour Pressure: 4.39E-07 mmHg at 25°C
SMILES: Cc1ccc(cc1C(=O)Nc2ccc(c(c2)Cl)C(=O)O)F
InChI: InChI=1/C15H11ClFNO3/c1-8-2-3-9(17)6-12(8)14(19)18-10-4-5-11(15(20)21)13(16)7-10/h2-7H,1H3,(H,18,19)(H,20,21)
2-chloro-4-(5-fluoro-2-methylbenzamido)benzoic acid , with CAS number of 168080-49-7, can be called benzoic acid, 2-chloro-4-[(5-fluoro-2-methylbenzoyl)amino]- .
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