| CAS Number | 28478-47-9 |
| Catalog Number | AG01DWAU(AGN-PC-03CJ0L) |
| Chemical Name | methyl 5-chloro-4-hydroxy-2-methoxybenzoate |
| IUPAC Name | methyl 5-chloro-4-hydroxy-2-methoxybenzoate |
| InChI | InChI=1S/C9H9ClO4/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4,11H,1-2H3 |
| InChI Key | CGVQMFDUPUQCBB-UHFFFAOYSA-N |
| MDL Number | MFCD24714555 |
| Molecular Formula | C9H9ClO4 |
| Molecular Weight | 216.6184 |
| SMILES | COC(C1=C(OC)C=C(O)C(Cl)=C1)=O |
| Synonyms | methyl 5-chloro-4-hydroxy-2-methoxybenzoate,
SCHEMBL1742880,
CGVQMFDUPUQCBB-UHFFFAOYSA-N,
28478-47-9,
methyl 2-methoxy-4-hydroxy-5-chlorobenzoate,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.617g/mol |
| Monoisotopic Mass | 216.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number