| CAS Number | 67648-07-1 |
| Catalog Number | AG01B9QG(AGN-PC-0NJ28A) |
| Chemical Name | 3-Chloro-4-ethylbenzoic acid |
| IUPAC Name | 3-chloro-4-ethylbenzoic acid |
| InChI | InChI=1S/C9H9ClO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | OSIAOEJRKVOTDE-UHFFFAOYSA-N |
| MDL Number | MFCD18410966 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | CCC1=C(Cl)C=C(C(O)=O)C=C1 |
| Synonyms | 3-CHLORO-4-ETHYLBENZOIC ACID,
67648-07-1,
SCHEMBL17198001,
CTK6D1818,
3-chloranyl-4-ethyl-benzoic acid,
ZINC37594059,
AKOS017516212,
A819834,
Z2510259590,
2923-66-2,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number