| CAS Number | 99725-34-5 |
| Catalog Number | AG019XFP(AGN-PC-00L91O) |
| Chemical Name | 2,4-Dichloro-6-hydroxybenzoic acid |
| IUPAC Name | 2,4-dichloro-6-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4Cl2O3/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,10H,(H,11,12) |
| InChI Key | GHXWAANNBILSEF-UHFFFAOYSA-N |
| MDL Number | MFCD11203640 |
| Molecular Formula | C7H4Cl2O3 |
| Molecular Weight | 207.0109 |
| SMILES | OC(C1=C(Cl)C=C(Cl)C=C1O)=O |
| Synonyms | 2,4-Dichloro-6-hydroxybenzoic acid,
99725-34-5,
Benzoic acid, 2,4-dichloro-6-hydroxy-,
SCHEMBL5355330,
DTXSID80524214,
ZINC20593718,
AKOS008119636,
MCULE-8534352368,
NE27781,
EN300-54868,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.006g/mol |
| Monoisotopic Mass | 205.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number