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Home > Boronic Acids > 68162-47-0
68162-47-0 | 4-(Bromomethyl)phenylboronic acid
CAS No: 68162-47-0 Catalog No: AG0036M0 MDL No:MFCD01318113
Product Description
Catalog Number:
AG0036M0
Chemical Name:
4-(Bromomethyl)phenylboronic 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 |
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