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Home Boronic acids 4-Bromomethylphenylboronic acid

4-Bromomethylphenylboronic acid

CAS No.:
68162-47-0
Catalog Number:
AG0036M0
Molecular Formula:
C7H8BBrO2
Molecular Weight:
214.8522
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$40
- +
10g
97%
In Stock USA
United States
$75
- +
25g
97%
In Stock USA
United States
$157
- +
100g
97%
In Stock USA
United States
$412
- +
Product Description
Catalog Number:
AG0036M0
Chemical Name:
4-Bromomethylphenylboronic acid
CAS Number:
68162-47-0
Molecular Formula:
C7H8BBrO2
Molecular Weight:
214.8522
MDL Number:
MFCD01318113
IUPAC Name:
[4-(bromomethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2
InChI Key:
PDNOURKEZJZJNZ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)B(O)O
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.98g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.853g/mol
Monoisotopic Mass:
213.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Structure-based design of novel boronic acid-based inhibitors of autotaxin. Journal of medicinal chemistry 20110714
Enhanced gene transfection capability of polyethylenimine by incorporating boronic acid groups. Chemical communications (Cambridge, England) 20100828
Properties