| CAS Number | 851756-53-1 |
| Catalog Number | AG01B3X1(AGN-PC-0OJPPM) |
| Chemical Name | (2,3,6-trichlorophenyl)boronic acid |
| IUPAC Name | (2,3,6-trichlorophenyl)boronic acid |
| InChI | InChI=1S/C6H4BCl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H |
| InChI Key | AOPIKELJCFCNCK-UHFFFAOYSA-N |
| MDL Number | MFCD18400154 |
| Molecular Formula | C6H4BCl3O2 |
| Molecular Weight | 225.2648 |
| SMILES | ClC1=C(B(O)O)C(Cl)=C(Cl)C=C1 |
| Synonyms | 851756-53-1,
2,3,6-trichlorophenylboronic acid,
(2,3,6-Trichlorophenyl)boronic acid,
ZINC216061104,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.256g/mol |
| Monoisotopic Mass | 223.937g/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