942920-11-8
1-ETHYL-3-(4-NITROPHENYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
Name1-ETHYL-3-(4-NITROPHENYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
1Identification
【Name】
1-ETHYL-3-(4-NITROPHENYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
【CAS】
【MDL】
MFCD12400854
【English Synonyms】
【Formula】
C17 H22 B N3 O4
【MolWeight】
343.189
【Inchi】
InChI=1S/C17H22BN3O4/c1-6-20-11-14(18-24-16(2,3)17(4,5)25-18)15(19-20)12-7-9-13(10-8-12)21(22)23/h7-11H,6H2,1-5H3
【InChIKey】
InChIKey=BNJLOSTYUZRZME-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cn(nc2c3ccc(cc3)[N+](=O)[O-])CC
【MOL File】
1-ETHYL-3-(4-NITROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYL-3-(4-NITROPHENYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE.cml