578715-23-8
5-BROMO-5'-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,2'-BITHIOPHENE
Name5-BROMO-5'-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,2'-BITHIOPHENE
FormulaC14 H16 B Br O2 S2
1Identification
【Name】
5-BROMO-5'-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,2'-BITHIOPHENE
【CAS】
【MDL】
MFCD10566882
【English Synonyms】
【Formula】
C14 H16 B Br O2 S2
【MolWeight】
371.125
【Inchi】
InChI=1S/C14H16BBrO2S2/c1-13(2)14(3,4)18-15(17-13)11-7-5-9(19-11)10-6-8-12(16)20-10/h5-8H,1-4H3
【InChIKey】
InChIKey=DMYHZCIVESITOD-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(s2)c3ccc(s3)Br
【MOL File】
5-BROMO-5'-(4,4,5,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-5'-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,2'-BITHIOPHENE.cml