QUIZALOFOP

The Propanoic acid,2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, with the CAS registry number 76578-12-6, is also known as Assure. It belongs to the product categories of Alpha Sort; Alphabetic; Environmental Standards; Herbicides; Metabolites Pesticides & Metabolites; Pesticides & Metabolites; Phenoxy Structure Analytical Standards; QPesticides & Metabolites; Q-Z. This chemical's molecular formula is C₁₇H₁₃ClN₂O₄ and molecular weight is 344.75. What's more, both its IUPAC name and systematic name are the same which is called 2-[4-(6-Chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid.

Physical properties about Propanoic acid,2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 70.54 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 89.08 cm³; (15)Molar Volume: 244.5 cm³; (16)Surface Tension: 60.4 dyne/cm; (17)Density: 1.409 g/cm³; (18)Flash Point: 276.3 °C; (19)Enthalpy of Vaporization: 85.18 kJ/mol; (20)Boiling Point: 533.3 °C at 760 mmHg; (21)Vapour Pressure: 3.34E-12 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(Oc3ccc(Oc1nc2ccc(Cl)cc2nc1)cc3)C
(2) InChI: InChI=1/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
(3) InChIKey: ABOOPXYCKNFDNJ-UHFFFAOYAX