3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID

This chemical is called Benzoic acid, 3-fluoro-4-(trifluoromethyl)-, and its systematic name is 3-fluoro-4-(trifluoromethyl)benzoic acid. With the molecular formula of C₈H₄F₄O₂, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; C8; Carbonyl Compounds. The CAS registry number of this chemical is 115754-21-7. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Benzoic acid, 3-fluoro-4-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.94; (8)ACD/KOC (pH 7.4): 1.33; (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: 1.458; (14)Molar Refractivity: 38.15 cm³; (15)Molar Volume: 139.6 cm³; (16)Polarizability: 15.12×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.489 g/cm³; (19)Flash Point: 105.9 °C; (20)Enthalpy of Vaporization: 51.65 kJ/mol; (21)Boiling Point: 251.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0107 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c1ccc(cc1F)C(=O)O
2.InChI: InChI=1/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)
3.InChIKey: HRIHSNPFVGMAKX-UHFFFAOYAT