1704121-47-0
(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-fluoro-4-methylphenyl)boronic acid
Name(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-fluoro-4-methylphenyl)boronic acid
1Identification
【Name】
(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-fluoro-4-methylphenyl)boronic acid
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H20BFN2O4S
【MolWeight】
330.183
【Inchi】
InChI=1S/C13H20BFN2O4S/c1-3-16-4-6-17(7-5-16)22(20,21)13-9-11(14(18)19)12(15)8-10(13)2/h8-9,18-19H,3-7H2,1-2H3
【InChIKey】
InChIKey=QEDPQGFAOBIPRB-UHFFFAOYSA-N
【SMILES】
C(C)N1CCN(CC1)S(=O)(=O)C=1C(=CC(=C(C1)B(O)O)F)C
【MOL File】
(5-((4-ethylpiperazi….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
(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-fluoro-4-methylphenyl)boronic acid.cml