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Home Boronic acids 2-Benzyloxyphenylboronic acid

2-Benzyloxyphenylboronic acid

CAS No.:
190661-29-1
Catalog Number:
AG002EPH
Molecular Formula:
C13H13BO3
Molecular Weight:
228.0515
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$35
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$375
- +
500g
98%
In Stock USA
United States
$1313
- +
Product Description
Catalog Number:
AG002EPH
Chemical Name:
2-Benzyloxyphenylboronic acid
CAS Number:
190661-29-1
Molecular Formula:
C13H13BO3
Molecular Weight:
228.0515
MDL Number:
MFCD01632206
IUPAC Name:
(2-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H13BO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,15-16H,10H2
InChI Key:
MCAIDINWZOCYQK-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1OCc1ccccc1)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.054g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Identification of novel adenosine A(2A) receptor antagonists by virtual screening. Journal of medicinal chemistry 20120308
Properties