| CAS Number | 847972-30-9 |
| Catalog Number | AG019YJF(AGN-PC-08XZHK) |
| Chemical Name | 5-(chlorosulfonyl)-2,3-difluorobenzoic acid |
| IUPAC Name | 5-chlorosulfonyl-2,3-difluorobenzoic acid |
| InChI | InChI=1S/C7H3ClF2O4S/c8-15(13,14)3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12) |
| InChI Key | CXNWVFAMWRNPLN-UHFFFAOYSA-N |
| MDL Number | MFCD16817587 |
| Molecular Formula | C7H3ClF2O4S |
| Molecular Weight | 256.6111 |
| SMILES | OC(C1=C(F)C(F)=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 5-(chlorosulfonyl)-2,3-difluorobenzoic acid,
847972-30-9,
2,3-Difluoro-5-(chlorosulfonyl)benzoic acid,
SCHEMBL2536209,
CXNWVFAMWRNPLN-UHFFFAOYSA-N,
AKOS011953950,
ZINC100440857,
NE20284,
RP29141,
5-Chlorosulfonyl-2,3-difluoro-benzoic acid,
Benzoic acid, 5-(chlorosulfonyl)-2,3-difluoro-,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.604g/mol |
| Monoisotopic Mass | 255.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number