| CAS Number | 1695248-17-9 |
| Catalog Number | AG01EL89 |
| Chemical Name | methyl 5-bromo-2-chloro-4-methylbenzoate |
| IUPAC Name | methyl 5-bromo-2-chloro-4-methylbenzoate |
| InChI | InChI=1S/C9H8BrClO2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,1-2H3 |
| InChI Key | IYZCGVHGVXENKL-UHFFFAOYSA-N |
| MDL Number | MFCD31667266 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.5156 |
| SMILES | COC(C1=C(Cl)C=C(C)C(Br)=C1)=O |
| Synonyms | SCHEMBL17249571,
methyl 5-bromo-2-chloro-4-methylbenzoate,
1695248-17-9,
|
| 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