Benzoic acid,4-chloro-2,6-difluoro- (196194-58-8)

The 4-Chloro-2,6-difluorobenzoic acid, with CAS registry number 196194-58-8, has the systematic name of 4-chloro-2,6-difluorobenzoic acid. Besides this, it is also called Benzoic acid, 4-chloro-2,6-difluoro-. And the chemical formula of this chemical is C₇H₃ClF₂O₂.

Physical properties of 4-Chloro-2,6-difluorobenzoic acid: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.3 Å²; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 38.06 cm³; (13)Molar Volume: 122.3 cm³; (14)Polarizability: 15.09×10^-24cm³; (15)Surface Tension: 46.5 dyne/cm; (16)Enthalpy of Vaporization: 52.03 kJ/mol; (17)Vapour Pressure: 0.00866 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Cl)cc(F)c1C(O)=O
(2)InChI: InChI=1/C7H3ClF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
(3)InChIKey: ZCJKTGPZLLGECQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H3ClF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
(5)Std. InChIKey: ZCJKTGPZLLGECQ-UHFFFAOYSA-N