| CAS Number | 1427081-55-7 |
| Catalog Number | AG01BDM4 |
| Chemical Name | 4-(chlorosulfonyl)-3-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 4-chlorosulfonyl-3-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H4ClF3O5S/c9-18(15,16)6-2-1-4(7(13)14)3-5(6)17-8(10,11)12/h1-3H,(H,13,14) |
| InChI Key | BCCXYVLPCOAQMW-UHFFFAOYSA-N |
| MDL Number | MFCD24039270 |
| Molecular Formula | C8H4ClF3O5S |
| Molecular Weight | 304.6276 |
| SMILES | OC(C1=CC(OC(F)(F)F)=C(S(Cl)(=O)=O)C=C1)=O |
| Synonyms | 4-(chlorosulfonyl)-3-(trifluoromethoxy)benzoic acid,
1427081-55-7,
ZINC100549388,
NE17099,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.62g/mol |
| Monoisotopic Mass | 303.942g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number