| CAS Number | 108440-70-6 |
| Catalog Number | AG008TWJ(AGN-PC-0NWY26) |
| Chemical Name | 2-Methyl-5-iodobenzoyl chloride |
| IUPAC Name | 5-iodo-2-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6ClIO/c1-5-2-3-6(10)4-7(5)8(9)11/h2-4H,1H3 |
| InChI Key | WKRKOJKYDUWPTQ-UHFFFAOYSA-N |
| MDL Number | MFCD18397809 |
| Molecular Formula | C8H6ClIO |
| Molecular Weight | 280.4901 |
| SMILES | C(Cl)(C1C=C(I)C=CC=1C)=O |
| Synonyms | 5-Iodo-2-methylbenzoyl chloride,
108440-70-6,
2-Methyl-5-iodobenzoyl chloride,
SCHEMBL12806404,
ZINC145121436,
5-iodo-2-methylbenzoic acid chloride,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.489g/mol |
| Monoisotopic Mass | 279.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number