| CAS Number | 2096340-28-0 |
| Catalog Number | AG01EHEL |
| Chemical Name | 6-Fluoro-3-methoxy-2-nitrophenylboronic acid |
| IUPAC Name | (6-fluoro-3-methoxy-2-nitrophenyl)boronic acid |
| InChI | InChI=1S/C7H7BFNO5/c1-15-5-3-2-4(9)6(8(11)12)7(5)10(13)14/h2-3,11-12H,1H3 |
| InChI Key | GAKAWZITZBEOCP-UHFFFAOYSA-N |
| MDL Number | MFCD22205758 |
| Molecular Formula | C7H7BFNO5 |
| Molecular Weight | 214.9436 |
| SMILES | COc1ccc(c(c1[N+](=O)[O-])B(O)O)F |
| Synonyms | 6-Fluoro-3-methoxy-2-nitrophenylboronic acid,
2096340-28-0,
(6-Fluoro-3-methoxy-2-nitrophenyl)boronic acid,
C7H7BFNO5,
MFCD22205758,
AKOS027360929,
ZINC169978122,
Y2875,
B-9754,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.943g/mol |
| Monoisotopic Mass | 215.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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