| CAS Number | 2096332-56-6 |
| Catalog Number | AG01EHOQ |
| Chemical Name | 3-Butanoyl-4-fluorophenylboronic acid |
| IUPAC Name | (3-butanoyl-4-fluorophenyl)boronic acid |
| InChI | InChI=1S/C10H12BFO3/c1-2-3-10(13)8-6-7(11(14)15)4-5-9(8)12/h4-6,14-15H,2-3H2,1H3 |
| InChI Key | VRKNUQIMTSFYAR-UHFFFAOYSA-N |
| MDL Number | MFCD19237170 |
| Molecular Formula | C10H12BFO3 |
| Molecular Weight | 210.0099 |
| SMILES | CCCC(=O)c1cc(ccc1F)B(O)O |
| Synonyms | 3-Butanoyl-4-fluorophenylboronic acid,
2096332-56-6,
(3-Butyryl-4-fluorophenyl)boronic acid,
MFCD19237170,
AKOS027352608,
ZINC169951632,
Y2494,
A-2821,
C10H12BFO3,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.011g/mol |
| Monoisotopic Mass | 210.086g/mol |
| Rotatable Bond Count | 4 |
| 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