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Home > Boronic Acids > 942070-04-4
942070-04-4 | 2,2'-(3-Bromothiophene-2,5-diyl);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);
CAS No: 942070-04-4 Catalog No: AG006OLQ MDL No:MFCD12407249
Product Description
Catalog Number:
AG006OLQ
Chemical Name:
2,2'-(3-Bromothiophene-2,5-diyl);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);
CAS Number:
942070-04-4
Molecular Formula:
C16H25B2BrO4S
Molecular Weight:
414.9583
MDL Number:
MFCD12407249
IUPAC Name:
2-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H25B2BrO4S/c1-13(2)14(3,4)21-17(20-13)11-9-10(19)12(24-11)18-22-15(5,6)16(7,8)23-18/h9H,1-8H3
InChI Key:
BAEDDMMLLGEBGP-UHFFFAOYSA-N
SMILES:
Brc1cc(sc1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.956g/mol
Monoisotopic Mass:
414.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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