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Home > Boronic Acids > 906673-30-1
906673-30-1 | 4-Descyano-2-cyano-crisaborole
CAS No: 906673-30-1 Catalog No: AG01E5QZ MDL No:
Product Description
Catalog Number:
AG01E5QZ
Chemical Name:
4-Descyano-2-cyano-crisaborole
CAS Number:
906673-30-1
IUPAC Name:
2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
InChI:
InChI=1S/C14H10BNO3/c16-8-10-3-1-2-4-14(10)19-12-5-6-13-11(7-12)9-18-15(13)17/h1-7,17H,9H2
InChI Key:
GWZBDMXSRRGGLN-UHFFFAOYSA-N
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.048g/mol
Monoisotopic Mass:
251.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Discovery and structure-activity study of a novel benzoxaborole anti-inflammatory agent (AN2728) for the potential topical treatment of psoriasis and atopic dermatitis. | Bioorganic & medicinal chemistry letters 20090415 |
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