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Home > Boronic Acids > 256383-44-5
256383-44-5 | 4-N-HEPTYLBENZENE BORONIC ACID
CAS No: 256383-44-5 Catalog No: AG00BBMD MDL No:MFCD04039028
Product Description
Catalog Number:
AG00BBMD
Chemical Name:
4-N-HEPTYLBENZENE BORONIC ACID
CAS Number:
256383-44-5
Molecular Formula:
C13H21BO2
Molecular Weight:
220.1156
MDL Number:
MFCD04039028
IUPAC Name:
(4-heptylphenyl)boronic acid
InChI:
InChI=1S/C13H21BO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11,15-16H,2-7H2,1H3
InChI Key:
RFBUNLZEBLXJKX-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)B(O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.119g/mol
Monoisotopic Mass:
220.163g/mol
Rotatable Bond Count:
7
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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