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Home > Boronic Acids > 25487-66-5
25487-66-5 | 3-Boronobenzoic acid
CAS No: 25487-66-5 Catalog No: AG003J5Y MDL No:MFCD00036833
Product Description
Catalog Number:
AG003J5Y
Chemical Name:
3-Boronobenzoic acid
CAS Number:
25487-66-5
Molecular Formula:
C7H7BO4
Molecular Weight:
165.9391
MDL Number:
MFCD00036833
IUPAC Name:
3-boronobenzoic acid
InChI:
InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
InChI Key:
DBVFWZMQJQMJCB-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)C(=O)O)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.939g/mol
Monoisotopic Mass:
166.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Expanding the diversity of allosteric bcr-abl inhibitors. | Journal of medicinal chemistry 20101014 |
| Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity. | Bioorganic & medicinal chemistry letters 20091115 |
| Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. | Journal of medicinal chemistry 20091008 |
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