| CAS Number | 1099186-84-1 |
| Catalog Number | AG01B2V1 |
| Chemical Name | 5-(chlorosulfonyl)-2-iodo-3-methylbenzoic acid |
| IUPAC Name | 5-chlorosulfonyl-2-iodo-3-methylbenzoic acid |
| InChI | InChI=1S/C8H6ClIO4S/c1-4-2-5(15(9,13)14)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | VCAAZSBGEXSXEP-UHFFFAOYSA-N |
| MDL Number | MFCD11650167 |
| Molecular Formula | C8H6ClIO4S |
| Molecular Weight | 360.5533 |
| SMILES | CC1=C(I)C(C(O)=O)=CC(S(Cl)(=O)=O)=C1 |
| Synonyms | 5-(chlorosulfonyl)-2-iodo-3-methylbenzoic acid,
1099186-84-1,
ZINC59221997,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.546g/mol |
| Monoisotopic Mass | 359.872g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number