| CAS Number | 1354963-62-4 |
| Catalog Number | AG019S8Q(AGN-PC-0WO0NL) |
| Chemical Name | Methyl 4-(chlorosulfonyl)-1h-pyrrole-2-carboxylate |
| IUPAC Name | methyl 4-chlorosulfonyl-1H-pyrrole-2-carboxylate |
| InChI | InChI=1S/C6H6ClNO4S/c1-12-6(9)5-2-4(3-8-5)13(7,10)11/h2-3,8H,1H3 |
| InChI Key | GDVGLPMJTJGVHQ-UHFFFAOYSA-N |
| MDL Number | MFCD20502009 |
| Molecular Formula | C6H6ClNO4S |
| Molecular Weight | 223.6341 |
| SMILES | ClS(=O)(=O)C=1C=C(NC1)C(=O)OC |
| Synonyms | methyl 4-(chlorosulfonyl)-1H-pyrrole-2-carboxylate,
1354963-62-4,
AKOS014732537,
ZINC100649109,
NE16643,
EN300-92226,
Z2470220943,
4-Chlorosulfonyl-1H-pyrrole-2-carboxylic acid methyl ester,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.627g/mol |
| Monoisotopic Mass | 222.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number