| CAS Number | 2096332-25-9 |
| Catalog Number | AG01FNSI(AGN-PC-3H4BI8) |
| Chemical Name | Boronic acid,B-[4-fluoro-3-[[(2-methylpropyl)amino]carbonyl]phenyl]- |
| IUPAC Name | [4-fluoro-3-(2-methylpropylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BFNO3/c1-7(2)6-14-11(15)9-5-8(12(16)17)3-4-10(9)13/h3-5,7,16-17H,6H2,1-2H3,(H,14,15) |
| InChI Key | VEMUZEFNPKXHHF-UHFFFAOYSA-N |
| MDL Number | MFCD20040146 |
| Molecular Formula | C11H15BFNO3 |
| Molecular Weight | 239.0511 |
| SMILES | FC1=C(C=C(C=C1)B(O)O)C(NCC(C)C)=O |
| Synonyms | 4-Fluoro-3-isobutylcarbamoylbenzeneboronic acid,
MFCD20040146,
ZINC169744018,
2096332-25-9,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.053g/mol |
| Monoisotopic Mass | 239.113g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number