| CAS Number | 1134-08-3 |
| Catalog Number | AG01DYFM(AGN-PC-0A5YMV) |
| Chemical Name | 2-chloro-3,5-dimethoxybenzoic acid |
| IUPAC Name | 2-chloro-3,5-dimethoxybenzoic acid |
| InChI | InChI=1S/C9H9ClO4/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,1-2H3,(H,11,12) |
| InChI Key | UMQJAFDUZIGZMO-UHFFFAOYSA-N |
| MDL Number | MFCD24480075 |
| Molecular Formula | C9H9ClO4 |
| Molecular Weight | 216.6184 |
| SMILES | COC1=CC(C(O)=O)=C(Cl)C(OC)=C1 |
| Synonyms | SCHEMBL3965223,
UMQJAFDUZIGZMO-UHFFFAOYSA-N,
2-Chloro-3,5-dimethoxy-benzoic Acid,
2-CHLORO-3,5-DIMETHOXYBENZOIC ACID,
1134-08-3,
|
| 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