| CAS Number | 52189-67-0 |
| Catalog Number | AG01BRMF(AGN-PC-0OBNWE) |
| Chemical Name | 3-Fluoro-2,6-dimethoxybenzoic acid |
| IUPAC Name | 3-fluoro-2,6-dimethoxybenzoic acid |
| InChI | InChI=1S/C9H9FO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | JDFSNRMZEUTEFU-UHFFFAOYSA-N |
| MDL Number | MFCD24480409 |
| Molecular Formula | C9H9FO4 |
| Molecular Weight | 200.1638 |
| SMILES | COC1=C(C(O)=O)C(OC)=C(F)C=C1 |
| Synonyms | 3-fluoro-2,6-dimethoxybenzoic acid,
52189-67-0,
ZINC75601448,
AKOS022646323,
Z2738358157,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.165g/mol |
| Monoisotopic Mass | 200.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number