| CAS Number | 950094-39-0 |
| Catalog Number | AG019L3S |
| Chemical Name | 5-(Pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride |
| IUPAC Name | 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride |
| InChI | InChI=1S/C9H11ClN2O3S/c10-16(14,15)7-5-8(11-6-7)9(13)12-3-1-2-4-12/h5-6,11H,1-4H2 |
| InChI Key | OWPFEQZTSUAQTP-UHFFFAOYSA-N |
| MDL Number | MFCD09863284 |
| Molecular Formula | C9H11ClN2O3S |
| Molecular Weight | 262.7132 |
| SMILES | ClS(C1C=C(C(N2CCCC2)=O)NC=1)(=O)=O |
| Synonyms | 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride,
950094-39-0,
5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrole-3-sulfonyl chloride,
AC1Q3VN5,
CTK7F5280,
AKOS009153634,
ZINC100566744,
MCULE-6083195105,
NE30608,
EN300-29737,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.708g/mol |
| Monoisotopic Mass | 262.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number