| CAS Number | 2096329-83-6 |
| Catalog Number | AG01EHEK |
| Chemical Name | 4-Fluoro-3-propanoylphenylboronic acid |
| IUPAC Name | (4-fluoro-3-propanoylphenyl)boronic acid |
| InChI | InChI=1S/C9H10BFO3/c1-2-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3 |
| InChI Key | HPOHGJFFCSHEMG-UHFFFAOYSA-N |
| MDL Number | MFCD19237169 |
| Molecular Formula | C9H10BFO3 |
| Molecular Weight | 195.9833 |
| SMILES | CCC(=O)c1cc(ccc1F)B(O)O |
| Synonyms | 4-Fluoro-3-propanoylphenylboronic acid,
2096329-83-6,
(4-Fluoro-3-propionylphenyl)boronic acid,
C9H10BFO3,
MFCD19237169,
ZINC169951629,
Y2753,
A-2867,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.984g/mol |
| Monoisotopic Mass | 196.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number