| CAS Number | 1429056-27-8 |
| Catalog Number | AG01FBML(AGN-PC-3H49JL) |
| Chemical Name | 3-Methoxy-2,4,5-trifluorobenzotrifluoride stabilized over potassium carbonate |
| IUPAC Name | 1,2,4-trifluoro-3-methoxy-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H4F6O/c1-15-7-5(10)3(8(12,13)14)2-4(9)6(7)11/h2H,1H3 |
| InChI Key | GISJMPLGYARJLZ-UHFFFAOYSA-N |
| MDL Number | MFCD22648269 |
| Molecular Formula | C8H4F6O |
| Molecular Weight | 230.1072 |
| SMILES | COc1c(F)c(F)cc(c1F)C(F)(F)F |
| Synonyms | 3-Methoxy-2,4,5-trifluorobenzotrifluoride,
1429056-27-8,
ZINC85650646,
2,4,5-Trifluoro-3-methoxybenzotrifluoride,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.109g/mol |
| Monoisotopic Mass | 230.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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