| CAS Number | 502159-65-1 |
| Catalog Number | AG01FR3G(AGN-PC-0OB87W) |
| Chemical Name | 1-Bromo-2-chloro-4-methoxy-5-methylbenzene |
| IUPAC Name | 1-bromo-2-chloro-4-methoxy-5-methylbenzene |
| InChI | InChI=1S/C8H8BrClO/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,1-2H3 |
| InChI Key | BMBHAMNWXALHMN-UHFFFAOYSA-N |
| MDL Number | MFCD28976791 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | c1(c(cc(c(c1)Br)Cl)OC)C |
| Synonyms | SCHEMBL16384984,
502159-65-1,
DB-092987,
1-bromo-2-chloro-4-methoxy-5-methylbenzene,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.94471g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.5g/mol |
| Monoisotopic Mass | 233.94471g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number