| CAS Number | 1909319-52-3 |
| Catalog Number | AG01AMGC |
| Chemical Name | 4-(fluorosulfonyl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-fluorosulfonyl-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C5H4FNO4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9) |
| InChI Key | XGGFVGUPVFBXGH-UHFFFAOYSA-N |
| MDL Number | MFCD28968512 |
| Molecular Formula | C5H4FNO4S |
| Molecular Weight | 193.1530 |
| SMILES | OC(C1NC=C(S(F)(=O)=O)C=1)=O |
| Synonyms | 4-(fluorosulfonyl)-1H-pyrrole-2-carboxylic acid,
1909319-52-3,
ZINC238856824,
ES-2169,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.148g/mol |
| Monoisotopic Mass | 192.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number