| CAS Number | 914933-75-8 |
| Catalog Number | AG01ACWE |
| Chemical Name | 3-Chloro-2,4-dimethoxybenzoic acid |
| IUPAC Name | 3-chloro-2,4-dimethoxybenzoic acid |
| InChI | InChI=1S/C9H9ClO4/c1-13-6-4-3-5(9(11)12)8(14-2)7(6)10/h3-4H,1-2H3,(H,11,12) |
| InChI Key | CRTJISYFGAVVBI-UHFFFAOYSA-N |
| MDL Number | MFCD24494244 |
| Molecular Formula | C9H9ClO4 |
| Molecular Weight | 216.6184 |
| SMILES | COC1=C(Cl)C(OC)=C(C(O)=O)C=C1 |
| Synonyms | 3-chloro-2,4-dimethoxybenzoic acid,
914933-75-8,
ZINC95883607,
AKOS023772171,
MCULE-5453173442,
NE44443,
Z1718361633,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.617g/mol |
| Monoisotopic Mass | 216.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number