| CAS Number | 167484-38-0 |
| Catalog Number | AG01AC94(AGN-PC-02C656) |
| Chemical Name | Methyl 2-(2,5-difluorophenyl)acetate |
| IUPAC Name | methyl 2-(2,5-difluorophenyl)acetate |
| InChI | InChI=1S/C9H8F2O2/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4H,5H2,1H3 |
| InChI Key | PALKNABXMQMSGW-UHFFFAOYSA-N |
| MDL Number | MFCD12025025 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.1554 |
| SMILES | COC(CC1=C(F)C=CC(F)=C1)=O |
| Synonyms | Methyl 2-(2,5-difluorophenyl)acetate,
167484-38-0,
methyl 2,5-difluorophenylacetate,
SCHEMBL8063678,
ZINC82721848,
(2,5-Difluorophenyl)acetic acid methyl ester,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.158g/mol |
| Monoisotopic Mass | 186.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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