| CAS Number | 2043-83-6 |
| Catalog Number | AG01A04E |
| Chemical Name | 2-(2-Chloro-4-methylphenyl)acetic acid |
| IUPAC Name | 2-(2-chloro-4-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H9ClO2/c1-6-2-3-7(5-9(11)12)8(10)4-6/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | SAPOBVLBLVBIBS-UHFFFAOYSA-N |
| MDL Number | MFCD09925012 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | CC1=CC(Cl)=C(CC(O)=O)C=C1 |
| Synonyms | 2-(2-chloro-4-methylphenyl)acetic acid,
2043-83-6,
2-chloro-4-methylphenylacetic acid,
SCHEMBL20567700,
2-Chloro-4-methylphenyl-acetic acid,
ZINC44374375,
AKOS006310323,
MCULE-7067379766,
NE26525,
J-508766,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number