939968-42-0
1-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA
Name1-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA
FormulaC19 H21 B F3 N3 O3
1Identification
【Name】
1-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA
【CAS】
【MDL】
MFCD13190594
【English Synonyms】
【Formula】
C19 H21 B F3 N3 O3
【MolWeight】
407.198
【Inchi】
InChI=1S/C19H21BF3N3O3/c1-17(2)18(3,4)29-20(28-17)13-8-9-15(24-11-13)26-16(27)25-14-7-5-6-12(10-14)19(21,22)23/h5-11H,1-4H3,(H2,24,25,26,27)
【InChIKey】
InChIKey=RRZYHBZYKGDFFT-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)NC(=O)Nc3cccc(c3)C(F)(F)F
【MOL File】
1-[5-(4,4,5,5-TETRAM….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
1-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA.cml