| CAS Number | 33866-05-6 |
| Catalog Number | AG007IMR(AGN-PC-0JOQZN) |
| Chemical Name | Benzoicacid, 3-chloro-4-(fluorosulfonyl)- |
| IUPAC Name | 3-chloro-4-fluorosulfonylbenzoic acid |
| InChI | InChI=1S/C7H4ClFO4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,(H,10,11) |
| InChI Key | JGXQPRQNKIOTQF-UHFFFAOYSA-N |
| MDL Number | MFCD28968669 |
| Molecular Formula | C7H4ClFO4S |
| Molecular Weight | 238.6207 |
| NSC Number | 210249 |
| SMILES | O=C(O)C1=CC=C(S(=O)(F)=O)C(Cl)=C1 |
| Synonyms | 33866-05-6,
Benzoicacid, 3-chloro-4-(fluorosulfonyl)-,
3-CHLORO-4-(FLUOROSULFONYL)BENZOIC ACID,
NSC210249,
3-chloro-4-fluorosulfonylbenzoic acid,
AC1L7CWK,
CTK1C6471,
DTXSID90308845,
ZINC104169048,
FCH3651674,
NSC-210249,
VS-0016,
EN300-224320,
CID308450,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.613g/mol |
| Monoisotopic Mass | 237.95g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number