| CAS Number | 1935327-46-0 |
| Catalog Number | AG01C4IK |
| Chemical Name | Methyl 4-bromo-5-chloro-2-hydroxybenzoate |
| IUPAC Name | methyl 4-bromo-5-chloro-2-hydroxybenzoate |
| InChI | InChI=1S/C8H6BrClO3/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3,11H,1H3 |
| InChI Key | HBLLQAAMTGHSNF-UHFFFAOYSA-N |
| MDL Number | MFCD30342651 |
| Molecular Formula | C8H6BrClO3 |
| Molecular Weight | 265.4884 |
| SMILES | BrC1=CC(=C(C(=O)OC)C=C1Cl)O |
| Synonyms | methyl 4-bromo-5-chloro-2-hydroxybenzoate,
1935327-46-0,
ZINC259987303,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.487g/mol |
| Monoisotopic Mass | 263.919g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number