| CAS Number | 1155985-73-1 |
| Catalog Number | AG01AALH |
| Chemical Name | Ethyl 5-(chlorosulfonyl)-2-fluorobenzoate |
| IUPAC Name | ethyl 5-chlorosulfonyl-2-fluorobenzoate |
| InChI | InChI=1S/C9H8ClFO4S/c1-2-15-9(12)7-5-6(16(10,13)14)3-4-8(7)11/h3-5H,2H2,1H3 |
| InChI Key | BMQDSKFCJIXCIF-UHFFFAOYSA-N |
| MDL Number | MFCD12169093 |
| Molecular Formula | C9H8ClFO4S |
| Molecular Weight | 266.6738 |
| SMILES | O=C(OCC)C1=CC(S(=O)(Cl)=O)=CC=C1F |
| Synonyms | ethyl 5-(chlorosulfonyl)-2-fluorobenzoate,
1155985-73-1,
AC1Q32ZZ,
ZINC59233862,
AKOS009115065,
NE21620,
EN300-68936,
5-Chlorosulfonyl-2-fluoro-benzoic acid ethyl ester,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.667g/mol |
| Monoisotopic Mass | 265.982g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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