| CAS Number | 1261794-08-4 |
| Catalog Number | AG009D2D |
| Chemical Name | 5-Iodo-2-methylbenzamide |
| IUPAC Name | 5-iodo-2-methylbenzamide |
| InChI | InChI=1S/C8H8INO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | OFBNHOCCYCOLRC-UHFFFAOYSA-N |
| Molecular Formula | C8H8INO |
| Molecular Weight | 261.0597 |
| SMILES | C1(C(N)=O)C=C(I)C=CC=1C |
| Synonyms | 5-Iodo-2-methylbenzamide,
1261794-08-4,
2-Methyl-5-iodobenzamide,
J3.656.180G,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.062g/mol |
| Monoisotopic Mass | 260.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number