| CAS Number | 2096335-85-0 |
| Catalog Number | AG01EHOI |
| Chemical Name | 2-(t-Butylcarbamoyl)-5-fluorophenylboronic acid |
| IUPAC Name | [2-(tert-butylcarbamoyl)-5-fluorophenyl]boronic acid |
| InChI | InChI=1S/C11H15BFNO3/c1-11(2,3)14-10(15)8-5-4-7(13)6-9(8)12(16)17/h4-6,16-17H,1-3H3,(H,14,15) |
| InChI Key | TYUIIBPMCPDQGO-UHFFFAOYSA-N |
| MDL Number | MFCD21609535 |
| Molecular Formula | C11H15BFNO3 |
| Molecular Weight | 239.0511 |
| SMILES | Fc1ccc(c(c1)B(O)O)C(=O)NC(C)(C)C |
| Synonyms | 2-(t-Butylcarbamoyl)-5-fluorophenylboronic acid,
2096335-85-0,
(2-(tert-Butylcarbamoyl)-5-fluorophenyl)boronic acid,
MFCD21609535,
AKOS027366283,
ZINC169964774,
Y2197,
B-8901,
C11H15BFNO3,
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| Complexity | 280 |
| 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 | 3 |
| 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