| CAS Number | 28478-41-3 |
| Catalog Number | AG01FS7A(AGN-PC-01ZSKE) |
| Chemical Name | 5-Chloro-2-methoxy-4-methylbenzoic acid |
| IUPAC Name | 5-chloro-2-methoxy-4-methylbenzoic acid |
| InChI | InChI=1S/C9H9ClO3/c1-5-3-8(13-2)6(9(11)12)4-7(5)10/h3-4H,1-2H3,(H,11,12) |
| InChI Key | XPKNIGFRIFWPQP-UHFFFAOYSA-N |
| MDL Number | MFCD14537196 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | COc1cc(C)c(cc1C(=O)O)Cl |
| Synonyms | 5-Chloro-2-methoxy-4-methylbenzoic acid,
28478-41-3,
SCHEMBL7802404,
XPKNIGFRIFWPQP-UHFFFAOYSA-N,
ZINC36198904,
2-methoxy-4-methyl-5-chlorobenzoic acid,
5-chloro-2-methoxy-4-methyl benzoic acid,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.62g/mol |
| Monoisotopic Mass | 200.024022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number