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Home > Boronic Acids > 1219628-58-6
1219628-58-6 | 5-Acetylthiophene-3-boronic acid pinacol ester
CAS No: 1219628-58-6 Catalog No: AG00HGJE MDL No:MFCD12198153
Product Description
Catalog Number:
AG00HGJE
Chemical Name:
5-Acetylthiophene-3-boronic acid pinacol ester
CAS Number:
1219628-58-6
Molecular Formula:
C12H17BO3S
Molecular Weight:
252.1376
MDL Number:
MFCD12198153
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C12H17BO3S/c1-8(14)10-6-9(7-17-10)13-15-11(2,3)12(4,5)16-13/h6-7H,1-5H3
InChI Key:
LIUCDZGQETVONG-UHFFFAOYSA-N
SMILES:
CC(=O)c1scc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.135g/mol
Monoisotopic Mass:
252.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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