| CAS Number | 1782332-00-6 |
| Catalog Number | AG00HZSS(AGN-PC-0WR70L) |
| Chemical Name | methyl 2-(2-chlorophenyl)-2,2-difluoroacetate |
| IUPAC Name | methyl 2-(2-chlorophenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C9H7ClF2O2/c1-14-8(13)9(11,12)6-4-2-3-5-7(6)10/h2-5H,1H3 |
| InChI Key | CEMQXYMELNVHCH-UHFFFAOYSA-N |
| MDL Number | MFCD27578398 |
| Molecular Formula | C9H7ClF2O2 |
| Molecular Weight | 220.6005 |
| SMILES | COC(=O)C(c1ccccc1Cl)(F)F |
| Synonyms | METHYL 2-(2-CHLOROPHENYL)-2,2-DIFLUOROACETATE,
1782332-00-6,
ZINC97756856,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.6g/mol |
| Monoisotopic Mass | 220.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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