| CAS Number | 1515654-42-8 |
| Catalog Number | AG01DVHN |
| Chemical Name | 3-(2-chlorophenyl)-2-methylbutanoic acid |
| IUPAC Name | 3-(2-chlorophenyl)-2-methylbutanoic acid |
| InChI | InChI=1S/C11H13ClO2/c1-7(8(2)11(13)14)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,13,14) |
| InChI Key | WQGSXFUVZRRGLX-UHFFFAOYSA-N |
| MDL Number | MFCD24024893 |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.6727 |
| SMILES | CC(C(O)=O)C(C1=C(Cl)C=CC=C1)C |
| Synonyms | 3-(2-chlorophenyl)-2-methylbutanoic acid,
1515654-42-8,
AKOS019577642,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.673g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number