| CAS Number | 244606-33-5 |
| Catalog Number | AG00IL2Z(AGN-PC-0WNH5F) |
| Chemical Name | 4-(Chlorosulfonyl)-3-fluorobenzoic acid |
| IUPAC Name | 4-chlorosulfonyl-3-fluorobenzoic acid |
| InChI | InChI=1S/C7H4ClFO4S/c8-14(12,13)6-2-1-4(7(10)11)3-5(6)9/h1-3H,(H,10,11) |
| InChI Key | BFEPIUXQMZTCQM-UHFFFAOYSA-N |
| MDL Number | MFCD19201165 |
| Molecular Formula | C7H4ClFO4S |
| Molecular Weight | 238.6207 |
| SMILES | O=C(O)C1=CC=C(S(=O)(Cl)=O)C(F)=C1 |
| Synonyms | 4-(chlorosulfonyl)-3-fluorobenzoic acid,
244606-33-5,
Benzoic acid, 4-(chlorosulfonyl)-3-fluoro-,
SCHEMBL3160473,
BFEPIUXQMZTCQM-UHFFFAOYSA-N,
KS-000008JS,
MFCD19201165,
AKOS006336619,
ZINC100649104,
NE31847,
SB21525,
AS-53983,
CS-0051165,
4-chlorosulfonyl-3-fluoro-benzoic Acid,
CID11310971,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number