| CAS Number | 1293108-58-3 |
| Catalog Number | AG01BCVK |
| Chemical Name | 2-(Difluoromethoxy)-4-methoxybenzoic acid |
| IUPAC Name | 2-(difluoromethoxy)-4-methoxybenzoic acid |
| InChI | InChI=1S/C9H8F2O4/c1-14-5-2-3-6(8(12)13)7(4-5)15-9(10)11/h2-4,9H,1H3,(H,12,13) |
| InChI Key | AXSNVRIMTHVVSI-UHFFFAOYSA-N |
| MDL Number | MFCD14694596 |
| Molecular Formula | C9H8F2O4 |
| Molecular Weight | 218.1542 |
| SMILES | COC1=CC(OC(F)F)=C(C(O)=O)C=C1 |
| Synonyms | 2-(difluoromethoxy)-4-methoxybenzoic acid,
1293108-58-3,
ZINC42372632,
AKOS010519496,
Z2510258184,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.156g/mol |
| Monoisotopic Mass | 218.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number