1704063-77-3
2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenylboronic acid
Name2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenylboronic acid
1Identification
【Name】
2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenylboronic acid
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H17BF3NO2
【MolWeight】
287.086
【Inchi】
InChI=1S/C13H17BF3NO2/c1-9-4-6-18(7-5-9)12-3-2-10(13(15,16)17)8-11(12)14(19)20/h2-3,8-9,19-20H,4-7H2,1H3
【InChIKey】
InChIKey=QXKDLVFNHRWGHY-UHFFFAOYSA-N
【SMILES】
CC1CCN(CC1)C1=C(C=C(C=C1)C(F)(F)F)B(O)O
【MOL File】
2-(4-methylpiperidin….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenylboronic acid.cml