| CAS Number | 926218-33-9 |
| Catalog Number | AG019V4V |
| Chemical Name | 2-Iodo-5-(morpholine-4-sulfonyl)benzoic acid |
| IUPAC Name | 2-iodo-5-morpholin-4-ylsulfonylbenzoic acid |
| InChI | InChI=1S/C11H12INO5S/c12-10-2-1-8(7-9(10)11(14)15)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15) |
| InChI Key | GVMXSHXUDXYPLX-UHFFFAOYSA-N |
| MDL Number | MFCD09043424 |
| Molecular Formula | C11H12INO5S |
| Molecular Weight | 397.1861 |
| SMILES | OC(C1=C(I)C=CC(S(N2CCOCC2)(=O)=O)=C1)=O |
| Synonyms | 2-iodo-5-(morpholine-4-sulfonyl)benzoic acid,
926218-33-9,
AC1Q72C7,
CTK7I6830,
ZINC21955114,
AKOS000127460,
MCULE-8616309701,
NE29288,
EN300-43752,
AB00998921-01,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.183g/mol |
| Monoisotopic Mass | 396.948g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number