1355067-82-1
2-ISOPROPOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
Name2-ISOPROPOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
1Identification
【Name】
2-ISOPROPOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
【CAS】
【MDL】
MFCD16996730
【English Synonyms】
【Formula】
C15 H21 B N2 O3
【MolWeight】
288.153
【Inchi】
InChI=1S/C15H21BN2O3/c1-10(2)19-13-11(8-17)7-12(9-18-13)16-20-14(3,4)15(5,6)21-16/h7,9-10H,1-6H3
【InChIKey】
InChIKey=UXRWNTUNDGSUBP-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)OC(C)C)C#N
【MOL File】
2-ISOPROPOXY-5-(4,4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-ISOPROPOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE.cml