| CAS Number | 1036273-10-5 |
| Catalog Number | AG01DUXM |
| Chemical Name | methyl 2-hydroxy-2-(2,4,5-trifluorophenyl)acetate |
| IUPAC Name | methyl 2-hydroxy-2-(2,4,5-trifluorophenyl)acetate |
| InChI | InChI=1S/C9H7F3O3/c1-15-9(14)8(13)4-2-6(11)7(12)3-5(4)10/h2-3,8,13H,1H3 |
| InChI Key | ZZIJVZDNCUJEOG-UHFFFAOYSA-N |
| MDL Number | MFCD28016287 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.1453 |
| SMILES | COC(C(C1=C(F)C=C(F)C(F)=C1)O)=O |
| Synonyms | methyl 2-hydroxy-2-(2,4,5-trifluorophenyl)acetate,
1036273-10-5,
SCHEMBL5082185,
AKOS034180439,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.034729g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.14g/mol |
| Monoisotopic Mass | 220.034729g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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