| CAS Number | 1779496-54-6 |
| Catalog Number | AG01EHLK |
| Chemical Name | 2,4-Difluoro-3-nitrophenylboronic Acid |
| IUPAC Name | (2,4-difluoro-3-nitrophenyl)boronic acid |
| InChI | InChI=1S/C6H4BF2NO4/c8-4-2-1-3(7(11)12)5(9)6(4)10(13)14/h1-2,11-12H |
| InChI Key | DMWWELGNEMKCIM-UHFFFAOYSA-N |
| MDL Number | MFCD28790814 |
| Molecular Formula | C6H4BF2NO4 |
| Molecular Weight | 202.9081 |
| SMILES | OB(c1ccc(c(c1F)[N+](=O)[O-])F)O |
| Synonyms | 1779496-54-6,
2,4-Difluoro-3-nitrophenylboronic acid,
(2,4-Difluoro-3-nitrophenyl)boronic acid,
AKOS027366460,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.908g/mol |
| Monoisotopic Mass | 203.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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