| CAS Number | 1801916-39-1 |
| Catalog Number | AG01DDXM |
| Chemical Name | (2-Chloro-4,5-difluorophenyl)boronic acid |
| IUPAC Name | (2-chloro-4,5-difluorophenyl)boronic acid |
| InChI | InChI=1S/C6H4BClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H |
| InChI Key | MSMGFPOBSXTDFW-UHFFFAOYSA-N |
| MDL Number | MFCD12911677 |
| Molecular Formula | C6H4BClF2O2 |
| Molecular Weight | 192.3556 |
| SMILES | OB(C1=C(Cl)C=C(F)C(F)=C1)O |
| Synonyms | 2-chloro-4,5-difluorophenylboronic acid,
1801916-39-1,
MFCD12911677,
AKOS032962805,
ZINC221252871,
(2-chloro-4,5-difluorophenyl)boronic acid,
DB-002437,
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 | 191.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.353g/mol |
| Monoisotopic Mass | 191.996g/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
Certificate of Analysis
Lot Number