| CAS Number | 1261830-38-9 |
| Catalog Number | AG01C00G |
| Chemical Name | methyl 3-(difluoromethoxy)-2-fluorobenzoate |
| IUPAC Name | methyl 3-(difluoromethoxy)-2-fluorobenzoate |
| InChI | InChI=1S/C9H7F3O3/c1-14-8(13)5-3-2-4-6(7(5)10)15-9(11)12/h2-4,9H,1H3 |
| InChI Key | NJFVPSLNBSLJSS-UHFFFAOYSA-N |
| MDL Number | MFCD18399134 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.1453 |
| SMILES | COC(C1=C(F)C(OC(F)F)=CC=C1)=O |
| Synonyms | Methyl 3-(difluoromethoxy)-2-fluorobenzoate,
1261830-38-9,
ZINC238404173,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.147g/mol |
| Monoisotopic Mass | 220.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number