Identification Chemical Properties Supplier

1332698-41-5

Name Benzoic acid, 4-[5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-
CAS 1332698-41-5
Molecular Formula C18H11Cl2F4NO3
Molecular Weight 436.18
MOL File 1332698-41-5.mol

Chemical Properties

Boiling point  510.5±60.0 °C(Predicted)
density  1.54±0.1 g/cm3(Predicted)
pka 3.61±0.25(Predicted)
InChI InChI=1S/C18H11Cl2F4NO3/c1-8-4-9(2-3-11(8)16(26)27)14-7-17(28-25-14,18(22,23)24)10-5-12(19)15(21)13(20)6-10/h2-6H,7H2,1H3,(H,26,27)
InChIKey KVDAGBPQBOYRKB-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C2CC(C3=CC(Cl)=C(F)C(Cl)=C3)(C(F)(F)F)ON=2)C=C1C

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