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Home > Boronic Acids > 942070-28-2
942070-28-2 | 3-Methylthiophene-2,5-diboronic acid, pinacol ester
CAS No: 942070-28-2 Catalog No: AG00IHZ3 MDL No:MFCD12407256
Product Description
Catalog Number:
AG00IHZ3
Chemical Name:
3-Methylthiophene-2,5-diboronic acid, pinacol ester
CAS Number:
942070-28-2
Molecular Formula:
C17H28B2O4S
Molecular Weight:
350.0888
MDL Number:
MFCD12407256
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C17H28B2O4S/c1-11-10-12(18-20-14(2,3)15(4,5)21-18)24-13(11)19-22-16(6,7)17(8,9)23-19/h10H,1-9H3
InChI Key:
NOPYKVMGHVNISZ-UHFFFAOYSA-N
SMILES:
Cc1cc(sc1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.087g/mol
Monoisotopic Mass:
350.189g/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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