| CAS Number | 33719-37-8 |
| Catalog Number | AG00I6MZ(AGN-PC-0O92EG) |
| Chemical Name | 4-Cyanobenzenesulfonyl Fluoride |
| IUPAC Name | 4-cyanobenzenesulfonyl fluoride |
| InChI | InChI=1S/C7H4FNO2S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4H |
| InChI Key | YKZXWWMBQGHLNP-UHFFFAOYSA-N |
| MDL Number | MFCD22691153 |
| Molecular Formula | C7H4FNO2S |
| Molecular Weight | 185.1756 |
| SMILES | FS(C1=CC=C(C#N)C=C1)(=O)=O |
| Synonyms | 4-Cyanobenzenesulfonyl fluoride,
4-cyanobenzene-1-sulfonyl fluoride,
33719-37-8,
Benzenesulfonyl fluoride, 4-cyano-,
ZINC97947778,
AKOS034834173,
VS-0003,
4-Cyanobenzenesulfonyl fluoride, 98% (GC),
J3.662.908H,
Z2405314017,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.172g/mol |
| Monoisotopic Mass | 184.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number