| CAS Number | 1522778-35-3 |
| Catalog Number | AG01DVJ7 |
| Chemical Name | Methyl 5-Bromo-3-chloro-2-methylbenzoate |
| IUPAC Name | methyl 5-bromo-3-chloro-2-methylbenzoate |
| InChI | InChI=1S/C9H8BrClO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,1-2H3 |
| InChI Key | LXRLPGXLBLBKTR-UHFFFAOYSA-N |
| MDL Number | MFCD24108595 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | O=C(OC)C1=CC(Br)=CC(Cl)=C1C |
| Synonyms | methyl 5-bromo-3-chloro-2-methylbenzoate,
1522778-35-3,
AKOS020024228,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.515g/mol |
| Monoisotopic Mass | 261.94g/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