| CAS Number | 71685-44-4 |
| Catalog Number | AG01EX2U(AGN-PC-0BEP55) |
| Chemical Name | 2,4-Dichloro-5-methoxybenzoic acid |
| IUPAC Name | 2,4-dichloro-5-methoxybenzoic acid |
| InChI | InChI=1S/C8H6Cl2O3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12) |
| InChI Key | LUVPJGPYGBCUOI-UHFFFAOYSA-N |
| MDL Number | MFCD19686196 |
| Molecular Formula | C8H6Cl2O3 |
| Molecular Weight | 221.0374 |
| SMILES | ClC1=C(C(=O)O)C=C(C(=C1)Cl)OC |
| Synonyms | 2,4-Dichloro-5-methoxybenzoic acid,
71685-44-4,
SCHEMBL10979402,
LUVPJGPYGBCUOI-UHFFFAOYSA-N,
ZINC67802865,
FS-6384,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.033g/mol |
| Monoisotopic Mass | 219.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number