509152-18-5
3-BROMO-5-PHENYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOXAZOLE
Name3-BROMO-5-PHENYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOXAZOLE
1Identification
【Name】
3-BROMO-5-PHENYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOXAZOLE
【CAS】
【MDL】
MFCD18383297
【English Synonyms】
【Formula】
C15 H17 B Br N O3
【MolWeight】
350.018
【Inchi】
InChI=1S/C15H17BBrNO3/c1-14(2)15(3,4)21-16(20-14)11-12(19-18-13(11)17)10-8-6-5-7-9-10/h5-9H,1-4H3
【InChIKey】
InChIKey=WTJRKOFSFHZUTP-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2c(onc2Br)c3ccccc3
【MOL File】
3-BROMO-5-PHENYL-4-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BROMO-5-PHENYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOXAZOLE.cml