| CAS Number | 15089-74-4 |
| Catalog Number | AG01A2BA(AGN-PC-0Q5CBJ) |
| Chemical Name | 2-Chloro-4,5-dimethylbenzoic acid |
| IUPAC Name | 2-chloro-4,5-dimethylbenzoic acid |
| InChI | InChI=1S/C9H9ClO2/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4H,1-2H3,(H,11,12) |
| InChI Key | XBZNOTXVXOPTJB-UHFFFAOYSA-N |
| MDL Number | MFCD16817648 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| NSC Number | 409552 |
| SMILES | CC1=C(C)C=C(C(O)=O)C(Cl)=C1 |
| Synonyms | 2-chloro-4,5-dimethylbenzoic acid,
15089-74-4,
NSC409552,
AC1L8BB1,
SCHEMBL10628886,
DTXSID20325282,
XBZNOTXVXOPTJB-UHFFFAOYSA-N,
ZINC1602014,
AKOS006334807,
MCULE-7200881041,
NE16115,
NSC-409552,
Z1642389938,
CID349710,
|
| Complexity | 181 |
| 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 | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number