| CAS Number | 1000518-49-9 |
| Catalog Number | AG01BDQR |
| Chemical Name | 2-(2-Chloro-3-methylphenyl)acetic acid |
| IUPAC Name | 2-(2-chloro-3-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H9ClO2/c1-6-3-2-4-7(9(6)10)5-8(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | YBGVTNVOWFYDLN-UHFFFAOYSA-N |
| MDL Number | MFCD09925311 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | O=C(O)CC1=CC=CC(C)=C1Cl |
| Synonyms | 2-(2-chloro-3-methylphenyl)acetic acid,
1000518-49-9,
ZINC44375595,
AKOS006314702,
NE28608,
Z1881598311,
|
| 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