1350933-21-9
2-HYDROXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
Name2-HYDROXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
1Identification
【Name】
2-HYDROXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
【CAS】
【MDL】
MFCD16994359
【English Synonyms】
【Formula】
C13 H16 B N O3
【MolWeight】
245.084
【Inchi】
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-15)11(16)7-10/h5-7,16H,1-4H3
【InChIKey】
InChIKey=BBTAKLYSMLVVNR-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)O)C#N
【MOL File】
2-HYDROXY-4-(4,4,5,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE.cml