| CAS Number | 1021344-69-3 |
| Catalog Number | AG01C2OE |
| Chemical Name | Methyl 4-bromo-2-iodo-6-methylbenzoate |
| IUPAC Name | methyl 4-bromo-2-iodo-6-methylbenzoate |
| InChI | InChI=1S/C9H8BrIO2/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4H,1-2H3 |
| InChI Key | ZSTLHSKWDHIWKM-UHFFFAOYSA-N |
| MDL Number | MFCD09260951 |
| Molecular Formula | C9H8BrIO2 |
| Molecular Weight | 354.9671 |
| SMILES | COC(C1=C(I)C=C(Br)C=C1C)=O |
| Synonyms | methyl 4-bromo-2-iodo-6-methylbenzoate,
1021344-69-3,
SCHEMBL3839260,
AKOS027201024,
ZINC139820019,
Z2293644073,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.875g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.969g/mol |
| Monoisotopic Mass | 353.875g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number