| CAS Number | 380346-57-6 |
| Catalog Number | AG019GWG |
| Chemical Name | 2-Chloro-N-(2,4,6-triiodophenyl)acetamide |
| IUPAC Name | 2-chloro-N-(2,4,6-triiodophenyl)acetamide |
| InChI | InChI=1S/C8H5ClI3NO/c9-3-7(14)13-8-5(11)1-4(10)2-6(8)12/h1-2H,3H2,(H,13,14) |
| InChI Key | BXOOUGCJGVOZHY-UHFFFAOYSA-N |
| MDL Number | MFCD02725651 |
| Molecular Formula | C8H5ClI3NO |
| Molecular Weight | 547.2978 |
| SMILES | ClCC(=O)NC1=C(C=C(C=C1I)I)I |
| Synonyms | 2-chloro-N-(2,4,6-triiodophenyl)acetamide,
2-Chloro-N-(2,4,6-triiodo-phenyl)-acetamide,
380346-57-6,
AC1NMUCE,
AC1Q3TJ0,
CTK6H5330,
ZINC3885197,
AKOS000115075,
MCULE-8678629450,
NE28782,
UPCMLD0ENAT0507-3884:001,
EN300-01534,
ZINC03885197,
CID5016177,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 546.719g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 547.297g/mol |
| Monoisotopic Mass | 546.719g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number