| CAS Number | 212780-23-9 |
| Catalog Number | AG00S3PG(AGN-PC-3H4G3D) |
| Chemical Name | (3-butanamidophenyl)boronic acid |
| IUPAC Name | [3-(butanoylamino)phenyl]boronic acid |
| InChI | InChI=1S/C10H14BNO3/c1-2-4-10(13)12-9-6-3-5-8(7-9)11(14)15/h3,5-7,14-15H,2,4H2,1H3,(H,12,13) |
| InChI Key | WKBFEWURUDLFFY-UHFFFAOYSA-N |
| MDL Number | MFCD22571874 |
| Molecular Formula | C10H14BNO3 |
| Molecular Weight | 207.0341 |
| SMILES | CCCC(NC1=CC(B(O)O)=CC=C1)=O |
| Synonyms | SCHEMBL15985297,
(3-butanamidophenyl)boronic acid,
212780-23-9,
AS-60828,
boronic acid, [3-[(1-oxobutyl)amino]phenyl]-,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.106673g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.04g/mol |
| Monoisotopic Mass | 207.106673g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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