| CAS Number | 1934852-61-5 |
| Catalog Number | AG01AMFC |
| Chemical Name | 2-Chloro-4-(fluorosulfonyl)benzoic acid |
| IUPAC Name | 2-chloro-4-fluorosulfonylbenzoic acid |
| InChI | InChI=1S/C7H4ClFO4S/c8-6-3-4(14(9,12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11) |
| InChI Key | BEXNYFYCTVODCD-UHFFFAOYSA-N |
| MDL Number | MFCD28968475 |
| Molecular Formula | C7H4ClFO4S |
| Molecular Weight | 238.6207 |
| SMILES | O=C(O)C1=CC=C(S(=O)(F)=O)C=C1Cl |
| Synonyms | 2-chloro-4-(fluorosulfonyl)benzoic acid,
1934852-61-5,
SCHEMBL18577911,
ZINC253388090,
FCH3651680,
VS-0051,
EN300-224111,
|
| 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 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number