| CAS Number | 2096333-57-0 |
| Catalog Number | AG01EHM5 |
| Chemical Name | 2-Carbamoyl-6-fluorophenylboronic acid pinacol ester |
| IUPAC Name | 3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)10-8(11(16)17)6-5-7-9(10)15/h5-7H,1-4H3,(H2,16,17) |
| InChI Key | MVLAKOBLQXCZNQ-UHFFFAOYSA-N |
| MDL Number | MFCD18730388 |
| Molecular Formula | C13H17BFNO3 |
| Molecular Weight | 265.0884 |
| SMILES | FC1=C(B2OC(C)(C)C(C)(C)O2)C(C(N)=O)=CC=C1 |
| Synonyms | 2-CARBAMOYL-6-FLUOROPHENYLBORONIC ACID PINACOL ESTER,
2096333-57-0,
3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
KM4109,
MFCD18730388,
ZINC169978511,
N/A,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.091g/mol |
| Monoisotopic Mass | 265.129g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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