939968-40-8
N-[2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]-N'-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINUREA
NameN-[2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]-N'-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINUREA
FormulaC19 H20 B F4 N3 O3
1Identification
【Name】
N-[2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]-N'-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINUREA
【CAS】
【MDL】
MFCD13195055
【English Synonyms】
【Formula】
C19 H20 B F4 N3 O3
【MolWeight】
425.188
【Inchi】
InChI=1S/C19H20BF4N3O3/c1-17(2)18(3,4)30-20(29-17)11-8-9-14(25-10-11)27-16(28)26-13-7-5-6-12(15(13)21)19(22,23)24/h5-10H,1-4H3,(H2,25,26,27,28)
【InChIKey】
InChIKey=XSXIFVVHSTYZGV-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)NC(=O)Nc3cccc(c3F)C(F)(F)F
【MOL File】
N-[2-FLUORO-3-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-[2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]-N'-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINUREA.cml