| CAS Number | 1820673-56-0 |
| Catalog Number | AG00I0R7(AGN-PC-0WOCE5) |
| Chemical Name | (2,6-dichloro-3-fluorophenyl)-2-oxoacetic acid |
| IUPAC Name | 2-(2,6-dichloro-3-fluorophenyl)-2-oxoacetic acid |
| InChI | InChI=1S/C8H3Cl2FO3/c9-3-1-2-4(11)6(10)5(3)7(12)8(13)14/h1-2H,(H,13,14) |
| InChI Key | YIFUMRYRMXUAFN-UHFFFAOYSA-N |
| MDL Number | MFCD26131145 |
| Molecular Formula | C8H3Cl2FO3 |
| Molecular Weight | 237.0120 |
| SMILES | OC(=O)C(=O)c1c(Cl)ccc(c1Cl)F |
| Synonyms | 2-(2,6-Dichloro-3-fluorophenyl)-2-oxoacetic acid,
1820673-56-0,
ZINC95495552,
(2,6-dichloro-3-fluorophenyl)-2-oxoacetic acid,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.007g/mol |
| Monoisotopic Mass | 235.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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