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Home > Boronic Acids > 1056474-34-0
1056474-34-0 | 4-(Thiophen-2-yl)phenylboronic acid pinacol ester
CAS No: 1056474-34-0 Catalog No: AG00HAOC MDL No:MFCD27936848
Product Description
Catalog Number:
AG00HAOC
Chemical Name:
4-(Thiophen-2-yl)phenylboronic acid pinacol ester
CAS Number:
1056474-34-0
Molecular Formula:
C16H19BO2S
Molecular Weight:
286.1969
MDL Number:
MFCD27936848
IUPAC Name:
4,4,5,5-tetramethyl-2-(4-thiophen-2-ylphenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)13-9-7-12(8-10-13)14-6-5-11-20-14/h5-11H,1-4H3
InChI Key:
NPXXIOJSOCXPHL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1cccs1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.196g/mol
Monoisotopic Mass:
286.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Design and synthesis of boronic acid inhibitors of endothelial lipase. | Bioorganic & medicinal chemistry letters 20120201 |
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