863868-21-7
4-IODO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE
Name4-IODO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE
1Identification
【Name】
4-IODO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE
【CAS】
【MDL】
MFCD12407217
【English Synonyms】
【Formula】
C13 H15 B I N O2
【MolWeight】
354.978
【Inchi】
InChI=1S/C13H15BINO2/c1-12(2)13(3,4)18-14(17-12)11-7-10(15)6-5-9(11)8-16/h5-7H,1-4H3
【InChIKey】
InChIKey=YMRKYJPJBVPWCC-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(ccc2C#N)I
【MOL File】
4-IODO-2-(4,4,5,5-TE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-IODO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE.cml