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Home > Boronic Acids > 1010836-19-7
1010836-19-7 | 2-Thiophenecarboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1010836-19-7 Catalog No: AG0003P5 MDL No:MFCD08064045
Product Description
Catalog Number:
AG0003P5
Chemical Name:
2-Thiophenecarboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1010836-19-7
Molecular Formula:
C11H15BO4S
Molecular Weight:
254.1104
MDL Number:
MFCD08064045
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H15BO4S/c1-10(2)11(3,4)16-12(15-10)7-5-8(9(13)14)17-6-7/h5-6H,1-4H3,(H,13,14)
InChI Key:
ZDNZEHFXGXIPLX-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.107g/mol
Monoisotopic Mass:
254.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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