| CAS Number | 1333392-80-5 |
| Catalog Number | AG009YJ3(AGN-PC-0WCRL9) |
| Chemical Name | 5-fluoro-2-(isopropoxyMethyl)phenylboronic acid |
| IUPAC Name | [5-fluoro-2-(propan-2-yloxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H14BFO3/c1-7(2)15-6-8-3-4-9(12)5-10(8)11(13)14/h3-5,7,13-14H,6H2,1-2H3 |
| InChI Key | NMKVOYZVOGHDAI-UHFFFAOYSA-N |
| MDL Number | MFCD14687289 |
| Molecular Formula | C10H14BFO3 |
| Molecular Weight | 212.0258 |
| SMILES | FC=1C=CC(=C(C1)B(O)O)COC(C)C |
| Synonyms | 5-fluoro-2-(isopropoxymethyl)phenylboronic acid,
1333392-80-5,
MFCD14687289,
AKOS010795555,
ZINC203180651,
AM86525,
AS-55311,
BBV-32943017,
{5-fluoro-2-[(propan-2-yloxy)methyl]phenyl}boronic acid,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.027g/mol |
| Monoisotopic Mass | 212.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number