| CAS Number | 1451391-80-2 |
| Catalog Number | AG00HXDL |
| Chemical Name | 5-Fluoro-2-(morpholinomethyl)phenylboronic acid, HCl |
| IUPAC Name | [5-fluoro-2-(morpholin-4-ylmethyl)phenyl]boronic acid;hydrochloride |
| InChI | InChI=1S/C11H15BFNO3.ClH/c13-10-2-1-9(11(7-10)12(15)16)8-14-3-5-17-6-4-14;/h1-2,7,15-16H,3-6,8H2;1H |
| InChI Key | PMNHTRQBVOIROF-UHFFFAOYSA-N |
| MDL Number | MFCD21332940 |
| Molecular Formula | C11H16BClFNO3 |
| Molecular Weight | 275.5120 |
| SMILES | Fc1ccc(c(c1)B(O)O)CN1CCOCC1.Cl |
| Synonyms | 1451391-80-2,
5-Fluoro-2-(morpholinomethyl)phenylboronic acid hydrochloride,
5-Fluoro-2-(morpholinomethyl)phenylboronic acid, HCl,
C11H15BFNO3.ClH,
MFCD21332940,
AKOS026673463,
Y2836,
Z1563,
B-9446,
5-Fluoro-2-(morpholinomethyl)phenylboronic acid HCl,
(5-fluoro-2-(morpholinomethyl)phenyl)boronic acid hydrochloride,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.511g/mol |
| Monoisotopic Mass | 275.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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