| CAS Number | 402-27-7 |
| Catalog Number | AG01C3ZT(AGN-PC-0O9ZTR) |
| Chemical Name | 3-Cyanobenzene-1-Sulfonyl Fluoride |
| IUPAC Name | 3-cyanobenzenesulfonyl fluoride |
| InChI | InChI=1S/C7H4FNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H |
| InChI Key | XHDHNTIGKYTAGT-UHFFFAOYSA-N |
| MDL Number | MFCD27950415 |
| Molecular Formula | C7H4FNO2S |
| Molecular Weight | 185.1756 |
| SMILES | O=S(C1=CC=CC(C#N)=C1)(F)=O |
| Synonyms | 3-cyanobenzene-1-sulfonyl fluoride,
402-27-7,
3-cyanobenzenesulfonyl fluoride,
SCHEMBL4894331,
XHDHNTIGKYTAGT-UHFFFAOYSA-N,
Benzenesulfonyl fluoride, 3-cyano-,
3-Cyanobenzenesulfonyl fluoride, 95%,
AKOS034834163,
ZINC143694000,
VS-0010,
|
| Complexity | 297 |
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number