| CAS Number | 1427502-22-4 |
| Catalog Number | AG00HWME |
| Chemical Name | 2,5-Dioxopyrrolidin-1-yl 4-(azidosulfonyl)benzoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-azidosulfonylbenzoate |
| InChI | InChI=1S/C11H8N4O6S/c12-13-14-22(19,20)8-3-1-7(2-4-8)11(18)21-15-9(16)5-6-10(15)17/h1-4H,5-6H2 |
| InChI Key | OTELZSYARCVFKW-UHFFFAOYSA-N |
| MDL Number | MFCD23726627 |
| Molecular Formula | C11H8N4O6S |
| Molecular Weight | 324.2694 |
| SMILES | c1cc(ccc1C(=O)ON2C(=O)CCC2=O)S(=O)(=O)N=[N+]=[N-] |
| Synonyms | N-Succinimidyl 4-(Azidosulfonyl)benzoate,
4-Azidosulfonyl-benzoic acid 2,5-dioxo-pyrrolidin-1-yl ester,
1427502-22-4,
BP-21556,
S0973,
4-(Azidosulfonyl)benzoic Acid N-Succinimidyl Ester,
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| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.267g/mol |
| Monoisotopic Mass | 324.016g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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