| CAS Number | 1909327-45-2 |
| Catalog Number | AG00IL66(AGN-PC-0WOH3N) |
| Chemical Name | 3-(chlorosulfonyl)-2-fluorobenzoic acid |
| IUPAC Name | 3-chlorosulfonyl-2-fluorobenzoic acid |
| InChI | InChI=1S/C7H4ClFO4S/c8-14(12,13)5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) |
| InChI Key | VVXPMHNYFDAEJU-UHFFFAOYSA-N |
| MDL Number | MFCD29047511 |
| Molecular Formula | C7H4ClFO4S |
| Molecular Weight | 238.6207 |
| SMILES | OC(C1=C(F)C(S(Cl)(=O)=O)=CC=C1)=O |
| Synonyms | 3-(chlorosulfonyl)-2-fluorobenzoic acid,
1909327-45-2,
MFCD29047511,
ZINC224061332,
AS-54116,
CS-0051700,
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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 | 1.6 |
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Certificate of Analysis
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