| CAS Number | 90649-75-5 |
| Catalog Number | AG01EYZP(AGN-PC-3H48IO) |
| Chemical Name | 2-Chloro-3,5-dimethylbenzoic acid |
| IUPAC Name | 2-chloro-3,5-dimethylbenzoic acid |
| InChI | InChI=1S/C9H9ClO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | YSGVTFBEPPAAAD-UHFFFAOYSA-N |
| MDL Number | MFCD11846006 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | c1(cc(c(c(c1)C(=O)O)Cl)C)C |
| Synonyms | 2-Chloro-3,5-dimethylbenzoic acid,
90649-75-5,
DTXSID70679222,
ZINC36532840,
AKOS006346066,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.619g/mol |
| Monoisotopic Mass | 184.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number