| CAS Number | 26584-20-3 |
| Catalog Number | AG01B7G8(AGN-PC-0O8FNE) |
| Chemical Name | Methyl 3-bromo-2,4,6-trimethylbenzoate |
| IUPAC Name | methyl 3-bromo-2,4,6-trimethylbenzoate |
| InChI | InChI=1S/C11H13BrO2/c1-6-5-7(2)10(12)8(3)9(6)11(13)14-4/h5H,1-4H3 |
| InChI Key | YUFSUAINJIKSAG-UHFFFAOYSA-N |
| MDL Number | MFCD00184978 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| SMILES | COC(C1=C(C)C(Br)=C(C)C=C1C)=O |
| Synonyms | 26584-20-3,
methyl 3-bromo-2,4,6-trimethylbenzoate,
Methyl-3-brom-2,4,6-trimethylbenzoat,
SCHEMBL17187612,
ZINC83229160,
AKOS020008468,
Z2630881643,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number