| CAS Number | 2096339-65-8 |
| Catalog Number | AG01EHIN |
| Chemical Name | 5-Bromo-2,3-difluorophenylboronic acid |
| IUPAC Name | (5-bromo-2,3-difluorophenyl)boronic acid |
| InChI | InChI=1S/C6H4BBrF2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H |
| InChI Key | WMJVJEUQKZBXHN-UHFFFAOYSA-N |
| MDL Number | MFCD19237164 |
| Molecular Formula | C6H4BBrF2O2 |
| Molecular Weight | 236.8066 |
| SMILES | OB(C1=CC(Br)=CC(F)=C1F)O |
| Synonyms | 5-Bromo-2,3-difluorophenylboronic acid,
2096339-65-8,
(5-bromo-2,3-difluorophenyl)boronic acid,
MFCD19237164,
ZINC169951558,
Y2801,
A-2964,
A-4628,
C6H4BBrF2O2,
N/A,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.807g/mol |
| Monoisotopic Mass | 235.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^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