| CAS Number | 1515382-53-2 |
| Catalog Number | AG01BRVT |
| Chemical Name | Ethyl 3-bromo-2,4,6-trimethylbenzoate |
| IUPAC Name | ethyl 3-bromo-2,4,6-trimethylbenzoate |
| InChI | InChI=1S/C12H15BrO2/c1-5-15-12(14)10-7(2)6-8(3)11(13)9(10)4/h6H,5H2,1-4H3 |
| InChI Key | AYPOOQCOBIMZCI-UHFFFAOYSA-N |
| MDL Number | MFCD24107133 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | CCOC(C1=C(C)C(Br)=C(C)C=C1C)=O |
| Synonyms | ethyl 3-bromo-2,4,6-trimethylbenzoate,
1515382-53-2,
ZINC83229161,
AKOS020006714,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.154g/mol |
| Monoisotopic Mass | 270.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number