| CAS Number | 521300-44-7 |
| Catalog Number | AG01BD4Q(AGN-PC-0HYUB9) |
| Chemical Name | 2-(2-Chloro-6-methylphenyl)acetic acid |
| IUPAC Name | 2-(2-chloro-6-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H9ClO2/c1-6-3-2-4-8(10)7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | DHGFNRCKKXLLDC-UHFFFAOYSA-N |
| MDL Number | MFCD18393696 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | CC1=C(CC(O)=O)C(Cl)=CC=C1 |
| Synonyms | 2-(2-chloro-6-methylphenyl)acetic acid,
521300-44-7,
3-chloro-o-tolyl acetic acid,
SCHEMBL3044981,
ZINC95934366,
AKOS024162667,
MCULE-7050786325,
NE38797,
Z1849003084,
|
| 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