| CAS Number | 26754-76-7 |
| Catalog Number | AG00BD47(AGN-PC-04Q0A2) |
| Chemical Name | 3,5-Dichloro-2,6-dihydroxybenzoic acid |
| IUPAC Name | 3,5-dichloro-2,6-dihydroxybenzoic acid |
| InChI | InChI=1S/C7H4Cl2O4/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,10-11H,(H,12,13) |
| InChI Key | KLXACYSQYFWVLM-UHFFFAOYSA-N |
| MDL Number | MFCD03840493 |
| Molecular Formula | C7H4Cl2O4 |
| Molecular Weight | 223.0103 |
| SMILES | OC(=O)c1c(O)c(Cl)cc(c1O)Cl |
| Synonyms | 3,5-dichloro-2,6-dihydroxybenzoic acid,
SCHEMBL6238025,
ZINC20593730,
3,5-dichloro-6-hydroxysalicylic acid,
26754-76-7,
FT-0739986,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.005g/mol |
| Monoisotopic Mass | 221.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number