| CAS Number | 918967-78-9 |
| Catalog Number | AG0069ZL(AGN-PC-0A9ZWM) |
| Chemical Name | Benzenesulfonyl chloride, 4-cyano-2-fluoro- |
| IUPAC Name | 4-cyano-2-fluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-1-5(4-10)3-6(7)9/h1-3H |
| InChI Key | UYHVZXCIAQVHMY-UHFFFAOYSA-N |
| MDL Number | MFCD16093707 |
| Molecular Formula | C7H3ClFNO2S |
| Molecular Weight | 219.6206 |
| SMILES | O=S(C1=CC=C(C#N)C=C1F)(Cl)=O |
| Synonyms | 4-cyano-2-fluorobenzene-1-sulfonyl chloride,
918967-78-9,
4-cyano-2-fluorobenzenesulfonyl chloride,
Benzenesulfonyl chloride, 4-cyano-2-fluoro-,
EN300-82665,
SCHEMBL2889391,
CTK3H4844,
DTXSID80712412,
MFCD16093707,
AKOS010996723,
ZINC100438536,
FCH5308598,
NE45616,
BBV-33403779,
BS-13859,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.614g/mol |
| Monoisotopic Mass | 218.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number