| CAS Number | 2096337-64-1 |
| Catalog Number | AG01EHBY |
| Chemical Name | 5-Bromo-2,3-difluoro-4-methoxyphenylboronic acid |
| IUPAC Name | (5-bromo-2,3-difluoro-4-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H6BBrF2O3/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2,12-13H,1H3 |
| InChI Key | QWHLPUWLRAUTMV-UHFFFAOYSA-N |
| MDL Number | MFCD18914514 |
| Molecular Formula | C7H6BBrF2O3 |
| Molecular Weight | 266.8325 |
| SMILES | OB(C1=CC(Br)=C(OC)C(F)=C1F)O |
| Synonyms | 5-Bromo-2,3-difluoro-4-methoxyphenylboronic acid,
2096337-64-1,
(5-bromo-2,3-difluoro-4-methoxyphenyl)boronic acid,
MFCD18914514,
ZINC169951686,
Y2800,
A-2947,
A-4624,
C7H6BBrF2O3,
N/A,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.833g/mol |
| Monoisotopic Mass | 265.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^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