| CAS Number | 1704095-91-9 |
| Catalog Number | AG00ARB1(AGN-PC-0WCTMI) |
| Chemical Name | (3-fluoro-4-(N-MethylsulfaMoyl)phenyl)boronic acid |
| IUPAC Name | [3-fluoro-4-(methylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H9BFNO4S/c1-10-15(13,14)7-3-2-5(8(11)12)4-6(7)9/h2-4,10-12H,1H3 |
| InChI Key | MPYRCSBAWGPDQJ-UHFFFAOYSA-N |
| MDL Number | MFCD28805568 |
| Molecular Formula | C7H9BFNO4S |
| Molecular Weight | 233.0251 |
| SMILES | FC=1C=C(C=CC1S(NC)(=O)=O)B(O)O |
| Synonyms | (3-fluoro-4-(N-methylsulfamoyl)phenyl)boronic acid,
1704095-91-9,
MFCD28805568,
AKOS025286927,
ZINC230551424,
AM88269,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.02g/mol |
| Monoisotopic Mass | 233.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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