| CAS Number | 1704067-48-0 |
| Catalog Number | AG00AR9S(AGN-PC-0WCRM2) |
| Chemical Name | (3,4-Difluoro-5-(pyrrolidin-1-yl)phenyl)boronic acid |
| IUPAC Name | (3,4-difluoro-5-pyrrolidin-1-ylphenyl)boronic acid |
| InChI | InChI=1S/C10H12BF2NO2/c12-8-5-7(11(15)16)6-9(10(8)13)14-3-1-2-4-14/h5-6,15-16H,1-4H2 |
| InChI Key | DTYDZPRAFWUWJO-UHFFFAOYSA-N |
| MDL Number | MFCD28384254 |
| Molecular Formula | C10H12BF2NO2 |
| Molecular Weight | 227.0156 |
| SMILES | OB(O)c1cc(F)c(F)c(c1)N1CCCC1 |
| Synonyms | (3,4-difluoro-5-(pyrrolidin-1-yl)phenyl)boronic acid,
1704067-48-0,
MFCD28384254,
ZINC230538916,
AM88312,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.018g/mol |
| Monoisotopic Mass | 227.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number