| CAS Number | 2096329-82-5 |
| Catalog Number | AG01EHF9 |
| Chemical Name | 3-Fluoro-4-(pyrrolidinomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | 1-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine |
| InChI | InChI=1S/C17H25BFNO2/c1-16(2)17(3,4)22-18(21-16)14-8-7-13(15(19)11-14)12-20-9-5-6-10-20/h7-8,11H,5-6,9-10,12H2,1-4H3 |
| InChI Key | KVBZUMPCGRRMNI-UHFFFAOYSA-N |
| MDL Number | MFCD21332949 |
| Molecular Formula | C17H25BFNO2 |
| Molecular Weight | 305.1953 |
| SMILES | Fc1cc(ccc1CN1CCCC1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-Fluoro-4-(pyrrolidinomethyl)phenylboronic acid, pinacol ester,
2096329-82-5,
1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine,
MFCD21332949,
AKOS027377513,
ZINC169964896,
B-9090,
N/A,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.2g/mol |
| Monoisotopic Mass | 305.196g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number