| CAS Number | 1160574-54-8 |
| Catalog Number | AG008VIB |
| Chemical Name | Methyl 3,4-dibromo-5-methylbenzoate |
| IUPAC Name | methyl 3,4-dibromo-5-methylbenzoate |
| InChI | InChI=1S/C9H8Br2O2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,1-2H3 |
| InChI Key | SUDAOOVENOTAHG-UHFFFAOYSA-N |
| MDL Number | MFCD11846082 |
| Molecular Formula | C9H8Br2O2 |
| Molecular Weight | 307.9666 |
| SMILES | C(OC)(=O)C1=CC(Br)=C(Br)C(C)=C1 |
| Synonyms | Methyl 3,4-Dibromo-5-methylbenzoate,
1160574-54-8,
DTXSID70679227,
ZINC36532928,
AKOS026671511,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.969g/mol |
| Monoisotopic Mass | 305.889g/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