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Home > Boronic Acids > 85107-51-3
85107-51-3 | 4-BORONOANTHRANILIC ACID
CAS No: 85107-51-3 Catalog No: AG004REE MDL No:
Product Description
Catalog Number:
AG004REE
Chemical Name:
4-BORONOANTHRANILIC ACID
CAS Number:
85107-51-3
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
IUPAC Name:
2-amino-4-boronobenzoic acid
InChI:
InChI=1S/C7H8BNO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,9H2,(H,10,11)
InChI Key:
WMNPRECIOQCXGN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)N)C(=O)O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
180.954g/mol
Monoisotopic Mass:
181.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors. | Bioorganic & medicinal chemistry letters 20100601 |
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