| CAS Number | 6660-59-9 |
| Catalog Number | AG00M6NP(AGN-PC-3H456N) |
| Chemical Name | 2,4-Dichloro-5-methylbenzoic acid |
| IUPAC Name | 2,4-dichloro-5-methylbenzoic acid |
| InChI | InChI=1S/C8H6Cl2O2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,1H3,(H,11,12) |
| InChI Key | VZSHNAFYRXEKKI-UHFFFAOYSA-N |
| MDL Number | MFCD03265315 |
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 205.0380 |
| SMILES | CC1=CC(=C(C=C1Cl)Cl)C(=O)O |
| Synonyms | 2,4-Dichloro-5-methylbenzoic acid,
6660-59-9,
SCHEMBL92141,
MFCD03265315,
ZINC26891751,
AKOS027353237,
X-4569,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.034g/mol |
| Monoisotopic Mass | 203.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number