| CAS Number | 67648-08-2 |
| Catalog Number | AG01EWVL(AGN-PC-0NJ28G) |
| Chemical Name | 2-Chloro-5-ethylbenzoic acid |
| IUPAC Name | 2-chloro-5-ethylbenzoic acid |
| InChI | InChI=1S/C9H9ClO2/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | IAOYMAFXRJTBQR-UHFFFAOYSA-N |
| MDL Number | MFCD16817649 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | c1(c(ccc(c1)CC)Cl)C(=O)O |
| Synonyms | 2-Chloro-5-ethylbenzoic acid,
67648-08-2,
SCHEMBL19443060,
ZINC67794426,
AKOS006334808,
|
| Complexity | 170 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number