2,2'-Bithiophene-5,5'-diboronic acid bis(pinacol) ester

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Catalog Number
ACM239075026-3
Product Name
2,2'-Bithiophene-5,5'-diboronic acid bis(pinacol) ester
Structure
Structure
CAS
239075-02-6
Category
Boronic Esters
Synonyms
5,5'-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2'-bithiophene; 4,4,5,5-Tetramethyl-2-[5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-[5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3,2-dioxaborolane
Molecular Weight
418.19
Molecular Formula
C20H28B2O4S2
Canonical SMILES
CC1(C)OB(OC1(C)C)c2ccc(s2)-c3ccc(s3)B4OC(C)(C)C(C)(C)O4
InChI
1S/C20H28B2O4S2/c1-17(2)18(3,4)24-21(23-17)15-11-9-13(27-15)14-10-12-16(28-14)22-25-19(5,6)20(7,8)26-22/h9-12H,1-8H3,XWWXVHGWYCXJCJ-UHFFFAOYSA-N
InChI Key
XWWXVHGWYCXJCJ-UHFFFAOYSA-N
Melting Point
208-212 °C-lit.
Storage
room temp
Assay
0.97
Complexity
529
Covalently-Bonded Unit Count
1
Exact Mass
418.161512g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
0
Heavy Atom Count
28
MDL Number
MFCD06798112
Monoisotopic Mass
418.161512g/mol
Packaging
1, 5 g in glass bottle
Quality Level
100
Rotatable Bond Count
3
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