| CAS Number | 1628684-13-8 |
| Catalog Number | AG01BIP2 |
| Chemical Name | (4-chloro-3-cyano-2-fluorophenyl)boronic acid |
| IUPAC Name | (4-chloro-3-cyano-2-fluorophenyl)boronic acid |
| InChI | InChI=1S/C7H4BClFNO2/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-2,12-13H |
| InChI Key | AUFZQVRVXHUHBP-UHFFFAOYSA-N |
| MDL Number | MFCD30751366 |
| Molecular Formula | C7H4BClFNO2 |
| Molecular Weight | 199.3746 |
| SMILES | OB(C1=C(F)C(C#N)=C(Cl)C=C1)O |
| Synonyms | (4-chloro-3-cyano-2-fluorophenyl)boronic acid,
1628684-13-8,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.000764g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.38g/mol |
| Monoisotopic Mass | 199.000764g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number