| CAS Number | 1692477-05-6 |
| Catalog Number | AG01DYTJ |
| Chemical Name | Methyl 3-chloro-5-iodo-2-methylbenzoate |
| IUPAC Name | methyl 3-chloro-5-iodo-2-methylbenzoate |
| InChI | InChI=1S/C9H8ClIO2/c1-5-7(9(12)13-2)3-6(11)4-8(5)10/h3-4H,1-2H3 |
| InChI Key | ULHZPUHUHBYNFA-UHFFFAOYSA-N |
| MDL Number | MFCD25960981 |
| Molecular Formula | C9H8ClIO2 |
| Molecular Weight | 310.5161 |
| SMILES | O=C(OC)C1=CC(I)=CC(Cl)=C1C |
| Synonyms | methyl 3-chloro-5-iodo-2-methylbenzoate,
3-Chlor-5-iod-p-tolylsaeure-methylester,
1692477-05-6,
21324-01-6,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.515g/mol |
| Monoisotopic Mass | 309.926g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number