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Home > Boronic Acids > 121219-12-3
121219-12-3 | (4-Pentylphenyl)boronic acid
CAS No: 121219-12-3 Catalog No: AG003LXC MDL No:MFCD00995151
Product Description
Catalog Number:
AG003LXC
Chemical Name:
(4-Pentylphenyl)boronic acid
CAS Number:
121219-12-3
Molecular Formula:
C11H17BO2
Molecular Weight:
192.0625
MDL Number:
MFCD00995151
IUPAC Name:
(4-pentylphenyl)boronic acid
InChI:
InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
InChI Key:
UZRMPSOGFATLJE-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)B(O)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.065g/mol
Monoisotopic Mass:
192.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^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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