| CAS Number | 1373232-67-7 |
| Catalog Number | AG00134K(AGN-PC-0J2C9H) |
| Chemical Name | 1,2-Dimethanesulfonylpyrrole |
| IUPAC Name | 1,2-bis(methylsulfonyl)pyrrole |
| InChI | InChI=1S/C6H9NO4S2/c1-12(8,9)6-4-3-5-7(6)13(2,10)11/h3-5H,1-2H3 |
| InChI Key | HAUAALUFGLQWEB-UHFFFAOYSA-N |
| MDL Number | MFCD22192476 |
| Molecular Formula | C6H9NO4S2 |
| Molecular Weight | 223.2700 |
| SMILES | CS(=O)(=O)n1cccc1S(=O)(=O)C |
| Synonyms | 1,2-Dimethanesulfonylpyrrole,
1373232-67-7,
1,2-Di(methanesulfonyl)-1H-pyrrole,
ACMC-209cbl,
C6H9NO4S2,
CTK8B0607,
DTXSID50742943,
ANW-20239,
MFCD22192476,
ZINC85477156,
1H-Pyrrole, 1,2-bis(methylsulfonyl)-,
TC-108984,
V2693,
K-4415,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.261g/mol |
| Monoisotopic Mass | 222.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number