3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID

The Benzoic acid,3-chloro-2-fluoro-5-(trifluoromethyl)-, with CAS registry number 129931-45-9, belongs to the following product category: Benzoic acid. It has the systematic name of 3-chloro-2-fluoro-5-(trifluoromethyl)benzoic acid. And the chemical formula of this chemical is C₈H₃ClF₄O₂.

Physical properties of Benzoic acid,3-chloro-2-fluoro-5-(trifluoromethyl)-: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.94; (8)ACD/KOC (pH 7.4): 3.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 43.05 cm³; (15)Molar Volume: 151.6 cm³; (16)Polarizability: 17.06×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.599 g/cm³; (19)Flash Point: 108 °C; (20)Enthalpy of Vaporization: 52.02 kJ/mol; (21)Boiling Point: 254.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00868 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,3-chloro-2-fluoro-5-(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)O)cc(cc1Cl)C(F)(F)F
(2)InChI: InChI=1/C8H3ClF4O2/c9-5-2-3(8(11,12)13)1-4(6(5)10)7(14)15/h1-2H,(H,14,15)
(3)InChIKey: UINXNXRHKMRASA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H3ClF4O2/c9-5-2-3(8(11,12)13)1-4(6(5)10)7(14)15/h1-2H,(H,14,15)
(5)Std. InChIKey: UINXNXRHKMRASA-UHFFFAOYSA-N