| CAS Number | 1803592-04-2 |
| Catalog Number | AG01AC5F |
| Chemical Name | 4-(1H-Pyrrol-1-yl)benzene-1-sulfonyl fluoride |
| IUPAC Name | 4-pyrrol-1-ylbenzenesulfonyl fluoride |
| InChI | InChI=1S/C10H8FNO2S/c11-15(13,14)10-5-3-9(4-6-10)12-7-1-2-8-12/h1-8H |
| InChI Key | WVHMNUTWELGLOG-UHFFFAOYSA-N |
| MDL Number | MFCD26407882 |
| Molecular Formula | C10H8FNO2S |
| Molecular Weight | 225.2394 |
| SMILES | FS(C1=CC=C(N2C=CC=C2)C=C1)(=O)=O |
| Synonyms | 4-(1H-pyrrol-1-yl)benzene-1-sulfonyl fluoride,
1803592-04-2,
ZINC97971570,
AKOS033896907,
ES-2154,
NE17215,
Z2405313966,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.237g/mol |
| Monoisotopic Mass | 225.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number