| CAS Number | 1331945-16-4 |
| Catalog Number | AG01FGER(AGN-PC-3H4AJN) |
| Chemical Name | 4-(Bromomethyl)-2-fluorophenylboronic acid |
| IUPAC Name | [4-(bromomethyl)-2-fluorophenyl]boronic acid |
| InChI | InChI=1S/C7H7BBrFO2/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,11-12H,4H2 |
| InChI Key | ONKOGRPSKARZGM-UHFFFAOYSA-N |
| MDL Number | MFCD22573054 |
| Molecular Formula | C7H7BBrFO2 |
| Molecular Weight | 232.8427 |
| SMILES | c1c(cc(c(c1)B(O)O)F)CBr |
| Synonyms | 4-(Bromomethyl)-2-fluorobenzeneboronic acid,
1331945-16-4,
(4-(Bromomethyl)-2-fluorophenyl)boronic acid,
SCHEMBL2299860,
MFCD22573054,
AKOS025293765,
ZINC169807487,
FCH2290488,
PS-9822,
PC500756,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.843g/mol |
| Monoisotopic Mass | 231.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number