916454-56-3
5-BROMO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-2-CARBONITRILE
Name5-BROMO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-2-CARBONITRILE
FormulaC11 H13 B Br N O2 S
1Identification
【Name】
5-BROMO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-2-CARBONITRILE
【CAS】
【MDL】
MFCD12405466
【English Synonyms】
【Formula】
C11 H13 B Br N O2 S
【MolWeight】
314.01
【Inchi】
InChI=1S/C11H13BBrNO2S/c1-10(2)11(3,4)16-12(15-10)7-5-9(13)17-8(7)6-14/h5H,1-4H3
【InChIKey】
InChIKey=MUMJWRWUEMLGFU-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(sc2C#N)Br
【MOL File】
5-BROMO-3-(4,4,5,5-T….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
5-BROMO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-2-CARBONITRILE.cml