| CAS Number | 1628442-75-0 |
| Catalog Number | AG01AN0V |
| Chemical Name | 4-Cyano-2,5-Difluorophenylboronic acid |
| IUPAC Name | (4-cyano-2,5-difluorophenyl)boronic acid |
| InChI | InChI=1S/C7H4BF2NO2/c9-6-2-5(8(12)13)7(10)1-4(6)3-11/h1-2,12-13H |
| InChI Key | UQMRRVKHBGKIAF-UHFFFAOYSA-N |
| MDL Number | MFCD07644473 |
| Molecular Formula | C7H4BF2NO2 |
| Molecular Weight | 182.9200 |
| SMILES | OB(C1=C(F)C=C(C#N)C(F)=C1)O |
| Synonyms | (4-cyano-2,5-difluorophenyl)boronic acid,
1628442-75-0,
SCHEMBL16037425,
AKOS006285869,
ZINC198947635,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.921g/mol |
| Monoisotopic Mass | 183.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number