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Home Boronic acids 4-N-Heptylphenylboronic acid

4-N-Heptylphenylboronic acid

CAS No.:
256383-44-5
Catalog Number:
AG00BBMD
Molecular Formula:
C13H21BO2
Molecular Weight:
220.1156
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$600
- +
10g
98%
In Stock USA
United States
$1075
- +
Product Description
Catalog Number:
AG00BBMD
Chemical Name:
4-N-Heptylphenylboronic 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
Properties