| CAS Number | 1955524-49-8 |
| Catalog Number | AG01C5FD |
| Chemical Name | 5-amino-4-(tert-butylamino)-2-fluorobenzene-1-sulfonyl fluoride |
| IUPAC Name | 5-amino-4-(tert-butylamino)-2-fluorobenzenesulfonyl fluoride |
| InChI | InChI=1S/C10H14F2N2O2S/c1-10(2,3)14-8-4-6(11)9(5-7(8)13)17(12,15)16/h4-5,14H,13H2,1-3H3 |
| InChI Key | BJAOURQEJBDISE-UHFFFAOYSA-N |
| MDL Number | MFCD29991379 |
| Molecular Formula | C10H14F2N2O2S |
| Molecular Weight | 264.2922 |
| SMILES | CC(NC1=C(N)C=C(S(F)(=O)=O)C(F)=C1)(C)C |
| Synonyms | 5-amino-4-(tert-butylamino)-2-fluorobenzene-1-sulfonyl fluoride,
1955524-49-8,
ZINC390822093,
VS-0053,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.291g/mol |
| Monoisotopic Mass | 264.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number