| CAS Number | 109803-47-6 |
| Catalog Number | AG01AD0Z(AGN-PC-0NX8IK) |
| Chemical Name | 5-Chloro-4-methoxy-2-methylbenzoic acid |
| IUPAC Name | 5-chloro-4-methoxy-2-methylbenzoic acid |
| InChI | InChI=1S/C9H9ClO3/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | AHFTWOUIHLEZHE-UHFFFAOYSA-N |
| MDL Number | MFCD21882471 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | CC1=CC(=C(C=C1C(=O)O)Cl)OC |
| Synonyms | 5-chloro-4-methoxy-2-methylbenzoic acid,
109803-47-6,
4-methoxy-5-chloro-2-methylbenzoic acid,
SCHEMBL16200306,
ZINC71508110,
AKOS022538143,
NE42163,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number