| CAS Number | 1036273-12-7 |
| Catalog Number | AG01DUXN |
| Chemical Name | methyl 2-chloro-2-(2,4,5-trifluorophenyl)acetate |
| IUPAC Name | methyl 2-chloro-2-(2,4,5-trifluorophenyl)acetate |
| InChI | InChI=1S/C9H6ClF3O2/c1-15-9(14)8(10)4-2-6(12)7(13)3-5(4)11/h2-3,8H,1H3 |
| InChI Key | VTTLWAISVWFQJX-UHFFFAOYSA-N |
| MDL Number | MFCD29942166 |
| Molecular Formula | C9H6ClF3O2 |
| Molecular Weight | 238.5909 |
| SMILES | COC(C(C1=C(F)C=C(F)C(F)=C1)Cl)=O |
| Synonyms | methyl 2-chloro-2-(2,4,5-trifluorophenyl)acetate,
1036273-12-7,
SCHEMBL5084418,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.59g/mol |
| Monoisotopic Mass | 238.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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