546142-08-9
3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE
Name3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE
1Identification
【Name】
3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE
【CAS】
【MDL】
MFCD18383288
【English Synonyms】
【Formula】
C16 H18 B N3 O2
【MolWeight】
295.148
【Inchi】
InChI=1S/C16H18BN3O2/c1-15(2)16(3,4)22-17(21-15)13-10-19-20(11-13)14-7-5-6-12(8-14)9-18/h5-8,10-11H,1-4H3
【InChIKey】
InChIKey=APMKAYJGHHCBBR-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)c3cccc(c3)C#N
【MOL File】
3-(4-(4,4,5,5-TETRAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE.cml