| CAS Number | 2007909-62-6 |
| Catalog Number | AG01FLHB(AGN-PC-3H4B7J) |
| Chemical Name | methyl 3-fluoro-4-(2-methoxy-2-oxoethoxy)benzoate |
| IUPAC Name | methyl 3-fluoro-4-(2-methoxy-2-oxoethoxy)benzoate |
| InChI | InChI=1S/C11H11FO5/c1-15-10(13)6-17-9-4-3-7(5-8(9)12)11(14)16-2/h3-5H,6H2,1-2H3 |
| InChI Key | ZVQXOTITJGTYIZ-UHFFFAOYSA-N |
| MDL Number | MFCD30471807 |
| Molecular Formula | C11H11FO5 |
| Molecular Weight | 242.2004 |
| SMILES | COC(=O)COc1ccc(cc1F)C(=O)OC |
| Synonyms | Methyl 3-fluoro-4-(2-methoxy-2-oxoethoxy)benzoate,
2007909-62-6,
MFCD30471807,
AKOS030628014,
ZINC498050924,
CS-0039420,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.202g/mol |
| Monoisotopic Mass | 242.059g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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