| CAS Number | 52783-75-2 |
| Catalog Number | AG01A7MM(AGN-PC-00O3ZW) |
| Chemical Name | 1-Bromo-5-(chloromethyl)-2,3-dimethoxybenzene |
| IUPAC Name | 1-bromo-5-(chloromethyl)-2,3-dimethoxybenzene |
| InChI | InChI=1S/C9H10BrClO2/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-4H,5H2,1-2H3 |
| InChI Key | KXEFZWNRTCPMOU-UHFFFAOYSA-N |
| MDL Number | MFCD12093879 |
| Molecular Formula | C9H10BrClO2 |
| Molecular Weight | 265.5315 |
| SMILES | COC1=C(OC)C(Br)=CC(CCl)=C1 |
| Synonyms | 1-bromo-5-(chloromethyl)-2,3-dimethoxybenzene,
52783-75-2,
AC1Q46F8,
CTK6J7740,
ZINC36815465,
NE51515,
EN300-59176,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.531g/mol |
| Monoisotopic Mass | 263.955g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number