| CAS Number | 1821493-72-4 |
| Catalog Number | AG01FR27(AGN-PC-3H5PE8) |
| Chemical Name | Methyl 5-bromo-2-chloro-4-methoxybenzoate |
| IUPAC Name | methyl 5-bromo-2-chloro-4-methoxybenzoate |
| InChI | InChI=1S/C9H8BrClO3/c1-13-8-4-7(11)5(3-6(8)10)9(12)14-2/h3-4H,1-2H3 |
| InChI Key | IOOKUICTJWOOOK-UHFFFAOYSA-N |
| MDL Number | MFCD30834135 |
| Molecular Formula | C9H8BrClO3 |
| Molecular Weight | 279.5150 |
| SMILES | COC(=O)c1cc(Br)c(cc1Cl)OC |
| Synonyms | Methyl 5-bromo-2-chloro-4-methoxybenzoate,
1821493-72-4,
SCHEMBL17239435,
IOOKUICTJWOOOK-UHFFFAOYSA-N,
ZINC260138733,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.93453g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.51g/mol |
| Monoisotopic Mass | 277.93453g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number