| CAS Number | 2096331-08-5 |
| Catalog Number | AG01EHJC |
| Chemical Name | 4-Fluoro-3-pentanoylphenylboronic acid |
| IUPAC Name | (4-fluoro-3-pentanoylphenyl)boronic acid |
| InChI | InChI=1S/C11H14BFO3/c1-2-3-4-11(14)9-7-8(12(15)16)5-6-10(9)13/h5-7,15-16H,2-4H2,1H3 |
| InChI Key | JRLNODDOGRZHDD-UHFFFAOYSA-N |
| MDL Number | MFCD19237171 |
| Molecular Formula | C11H14BFO3 |
| Molecular Weight | 224.0365 |
| SMILES | CCCCC(=O)c1cc(ccc1F)B(O)O |
| Synonyms | 4-Fluoro-3-pentanoylphenylboronic acid,
2096331-08-5,
(4-fluoro-3-pentanoylphenyl)boronic acid,
MFCD19237171,
ZINC169951637,
Y2752,
A-2866,
C11H14BFO3,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.038g/mol |
| Monoisotopic Mass | 224.102g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number