1704122-16-6
(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-methylphenyl)boronic acid
Name(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-methylphenyl)boronic acid
1Identification
【Name】
(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-methylphenyl)boronic acid
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H21BN2O4S
【MolWeight】
312.193
【Inchi】
InChI=1S/C13H21BN2O4S/c1-3-15-6-8-16(9-7-15)21(19,20)12-5-4-11(2)13(10-12)14(17)18/h4-5,10,17-18H,3,6-9H2,1-2H3
【InChIKey】
InChIKey=QIERKTXDIBDJSR-UHFFFAOYSA-N
【SMILES】
C(C)N1CCN(CC1)S(=O)(=O)C=1C=CC(=C(C1)B(O)O)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-methylphenyl)boronic acid.cml