| CAS Number | 959766-41-7 |
| Catalog Number | AG00IJPD |
| Chemical Name | Methyl 2,4-dichloro-5-iodobenzoate |
| IUPAC Name | methyl 2,4-dichloro-5-iodobenzoate |
| InChI | InChI=1S/C8H5Cl2IO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,1H3 |
| InChI Key | FCTJEFAOFNUNMY-UHFFFAOYSA-N |
| MDL Number | MFCD24107088 |
| Molecular Formula | C8H5Cl2IO2 |
| Molecular Weight | 330.9346 |
| SMILES | COC(C1=C(Cl)C=C(Cl)C(I)=C1)=O |
| Synonyms | methyl 2,4-dichloro-5-iodobenzoate,
959766-41-7,
2,4-DICHLORO-5-IODO-BENZOIC ACID METHYL ESTER,
SCHEMBL2849661,
FCTJEFAOFNUNMY-UHFFFAOYSA-N,
ZINC98209812,
AKOS020007135,
NE42420,
2,4-dichloro-5-iodobenzoic acid methyl ester,
Z1895583409,
|
| 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