| CAS Number | 1704095-87-3 |
| Catalog Number | AG00ARDB(AGN-PC-0WCTMF) |
| Chemical Name | (4-(N-(tert-butyl)sulfamoyl)-3-fluorophenyl)boronic acid |
| IUPAC Name | [4-(tert-butylsulfamoyl)-3-fluorophenyl]boronic acid |
| InChI | InChI=1S/C10H15BFNO4S/c1-10(2,3)13-18(16,17)9-5-4-7(11(14)15)6-8(9)12/h4-6,13-15H,1-3H3 |
| InChI Key | PIYBHQOGXHFNJL-UHFFFAOYSA-N |
| MDL Number | MFCD28805598 |
| Molecular Formula | C10H15BFNO4S |
| Molecular Weight | 275.1048 |
| SMILES | C(C)(C)(C)NS(=O)(=O)C1=C(C=C(C=C1)B(O)O)F |
| Synonyms | (4-(N-(tert-butyl)sulfamoyl)-3-fluorophenyl)boronic acid,
1704095-87-3,
MFCD28805598,
AKOS025286924,
ZINC230551239,
AM88185,
AS-55332,
[4-(tert-butylsulfamoyl)-3-fluorophenyl]boronic acid,
(4-(N-(t-Butyl)sulfamoyl)-3-fluorophenyl)boronic acid,
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| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.101g/mol |
| Monoisotopic Mass | 275.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number