847818-76-2
1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
Name1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
1Identification
【Name】
1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
【CAS】
【MDL】
MFCD12405508
【English Synonyms】
【Formula】
C12 H21 B N2 O2
【MolWeight】
236.121
【Inchi】
InChI=1S/C12H21BN2O2/c1-6-9-15-10(7-8-14-15)13-16-11(2,3)12(4,5)17-13/h7-8H,6,9H2,1-5H3
【InChIKey】
InChIKey=FLLUYNSHSZMQPN-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccnn2CCC
【MOL File】
1-PROPYL-5-(4,4,5,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE.cml