| CAS Number | 1218790-75-0 |
| Catalog Number | AG0016AI(AGN-PC-09PYZD) |
| Chemical Name | Boronic acid, B-[5-fluoro-2-[(methylamino)sulfonyl]phenyl]- |
| IUPAC Name | [5-fluoro-2-(methylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H9BFNO4S/c1-10-15(13,14)7-3-2-5(9)4-6(7)8(11)12/h2-4,10-12H,1H3 |
| InChI Key | XOWWQIHVQHBQAY-UHFFFAOYSA-N |
| MDL Number | MFCD16621157 |
| Molecular Formula | C7H9BFNO4S |
| Molecular Weight | 233.0251 |
| SMILES | O=S(C1=CC=C(F)C=C1B(O)O)(NC)=O |
| Synonyms | 1218790-75-0,
(5-Fluoro-2-(N-methylsulfamoyl)phenyl)boronic acid,
5-Fluoro-2-(N-methylsulfamoyl)phenylboronic acid,
ACMC-209aif,
C7H9BFNO4S,
[5-fluoro-2-(methylsulfamoyl)phenyl]boronic acid,
CTK4B2847,
DTXSID30681624,
ANW-17893,
AKOS015853305,
ZINC169746374,
PC412129,
AX8230481,
TR-034838,
ST24020628,
Z8552,
A-5666,
Boronic acid, B-[5-fluoro-2-[(methylamino)sulfonyl]phenyl]-,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number