4-CHLORO-2-FLUOROCINNAMIC ACID

The 2-Propenoic acid,3-(4-chloro-2-fluorophenyl)-, with the CAS registry number 202982-65-8, is also known as (2E)-3-(4-Chloro-2-fluorophenyl)acrylic acid. It belongs to the product categories of Fluoro-Contained Cinnamic Acid Series; Aromatic Cinnamic Acids, Esters and Derivatives; Cinnamic Acid; Acids & Esters; Chlorine Compounds; Fluorine Compounds. This chemical's molecular formula is C₉H₆ClFO₂ and molecular weight is 200.59. What's more, its IUPAC name is called (E)-3-(4-Chloro-2-fluorophenyl)prop-2-enoic acid. It is white to light yellow crystal powder and it should be kept in a cold, airtight and dry place.

Physical properties about 2-Propenoic acid,3-(4-chloro-2-fluorophenyl)- are: (1) ACD/LogP: 2.55; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.61; (4) ACD/LogD (pH 7.4): -0.94; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 6.7; (8) ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 26.3 Å²; (13) Index of Refraction: 1.604; (14) Molar Refractivity: 48.59 cm³; (15) Molar Volume: 141.1 cm³; (16) Surface Tension: 49.7 dyne/cm; (17) Density: 1.42 g/cm³; (18) Flash Point: 145.1 °C; (19) Enthalpy of Vaporization: 58.88 kJ/mol; (20) Boiling Point: 316.4 °C at 760 mmHg; (21) Vapour Pressure: 0.000173 mmHg at 25 °C; (22) Melting Point: 213-216 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(F)c(/C=C/C(=O)O)cc1
(2) InChI: InChI=1/C9H6ClFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
(3) InChIKey: FVLPOWWRHAOKMT-DUXPYHPUBS