| CAS Number | 1509504-29-3 |
| Catalog Number | AG01BFYD |
| Chemical Name | Methyl 2,3-dichloro-5-iodobenzoate |
| IUPAC Name | methyl 2,3-dichloro-5-iodobenzoate |
| InChI | InChI=1S/C8H5Cl2IO2/c1-13-8(12)5-2-4(11)3-6(9)7(5)10/h2-3H,1H3 |
| InChI Key | AEEBREVLBQVNSB-UHFFFAOYSA-N |
| MDL Number | MFCD24107114 |
| Molecular Formula | C8H5Cl2IO2 |
| Molecular Weight | 330.9346 |
| SMILES | O=C(OC)C1=CC(I)=CC(Cl)=C1Cl |
| Synonyms | methyl 2,3-dichloro-5-iodobenzoate,
1509504-29-3,
ZINC98209955,
AKOS020007136,
NE23668,
Z1945700425,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.871g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.93g/mol |
| Monoisotopic Mass | 329.871g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number