| CAS Number | 1000515-63-8 |
| Catalog Number | AG01C7BR(AGN-PC-0WOLAO) |
| Chemical Name | 2-(3-Chloro-4-methylphenyl)acetic acid |
| IUPAC Name | 2-(3-chloro-4-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H9ClO2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | BHGQSYHHKWNLNZ-UHFFFAOYSA-N |
| MDL Number | MFCD09924904 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | CC1=C(Cl)C=C(CC(O)=O)C=C1 |
| Synonyms | 2-(3-chloro-4-methylphenyl)acetic acid,
1000515-63-8,
SCHEMBL1403495,
3-Chloro-4-methylphenylacetic acid,
MFCD09924904,
ZINC43502585,
AKOS006313458,
2-(3-chloro-4-methyl-phenyl)acetic acid,
|
| 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