| CAS Number | 1022154-78-4 |
| Catalog Number | AG01B18O |
| Chemical Name | (4-Acetyl-2-Fluorophenyl)Boronic Acid |
| IUPAC Name | (4-acetyl-2-fluorophenyl)boronic acid |
| InChI | InChI=1S/C8H8BFO3/c1-5(11)6-2-3-7(9(12)13)8(10)4-6/h2-4,12-13H,1H3 |
| InChI Key | YNBLATKPBPNJOZ-UHFFFAOYSA-N |
| MDL Number | MFCD22570911 |
| Molecular Formula | C8H8BFO3 |
| Molecular Weight | 181.9567 |
| SMILES | B(C1=C(C=C(C=C1)C(=O)C)F)(O)O |
| Synonyms | (4-acetyl-2-fluorophenyl)boronic acid,
1022154-78-4,
4-ACETYL-2-FLUOROPHENYLBORONIC ACID,
SCHEMBL3502920,
YNBLATKPBPNJOZ-UHFFFAOYSA-N,
ZINC170012505,
NE22509,
SC-89135,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.957g/mol |
| Monoisotopic Mass | 182.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number