4-(4-Fluoroanilino)-4-oxobut-2-enoic acid

The 4-(4-Fluoroanilino)-4-oxobut-2-enoic acid, with the CAS registry number 60252-79-1, is also known as 2-Butenoic acid, 4-[(4-fluorophenyl)amino]-4-oxo-. This chemical's molecular formula is C₁₀H₈FNO₃ and molecular weight is 209.17. What's more, its IUPAC name and systematic name are the same which is called 4-[(4-Fluorophenyl)amino]-4-oxobut-2-enoic acid. Additionally, it should be preserved hermetically and put in a cool, dry place.

Physical properties about 4-(4-Fluoroanilino)-4-oxobut-2-enoic acid: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/KOC (pH 7.4); (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 46.61 Å²; (8)Index of Refraction: 1.611; (9)Molar Refractivity: 51.4 cm³; (10)Molar Volume: 147.9 cm³; (11)Surface Tension: 57 dyne/cm; (12)Density: 1.413 g/cm³; (13)Flash Point: 218.2 °C; (14)Enthalpy of Vaporization: 73.13 kJ/mol; (15)Boiling Point: 437.3 °C at 760 mmHg; (16)Vapour Pressure: 2.03E-08 mmHg at 25 °C; (17)Melting point: 209 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And 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: O=C(Nc1ccc(F)cc1)C=CC(=O)O
(2) InChI: InChI=1/C10H8FNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)
(3) InChIKey: NRDZVHHPNZDWRA-UHFFFAOYAP