1326714-81-1
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-6-CARBONITRILE
Name3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-6-CARBONITRILE
1Identification
【Name】
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-6-CARBONITRILE
【CAS】
【MDL】
MFCD16995764
【English Synonyms】
【Formula】
C15 H17 B N2 O2
【MolWeight】
268.122
【Inchi】
InChI=1S/C15H17BN2O2/c1-14(2)15(3,4)20-16(19-14)12-9-18-13-7-10(8-17)5-6-11(12)13/h5-7,9,18H,1-4H3
【InChIKey】
InChIKey=DYSIBACARWSJOT-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2c[nH]c3c2ccc(c3)C#N
【MOL File】
3-(4,4,5,5-TETRAMETH….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
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-6-CARBONITRILE.cml