| CAS Number | 19161-44-5 |
| Catalog Number | AG01FN16(AGN-PC-3H5N9G) |
| Chemical Name | 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde |
| IUPAC Name | 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde |
| InChI | InChI=1S/C8H4F4O2/c1-14-8-6(11)4(9)3(2-13)5(10)7(8)12/h2H,1H3 |
| InChI Key | PCZBUBRBHGQWCL-UHFFFAOYSA-N |
| MDL Number | MFCD25960513 |
| Molecular Formula | C8H4F4O2 |
| Molecular Weight | 208.1098 |
| SMILES | O=CC1=C(F)C(F)=C(OC)C(F)=C1F |
| Synonyms | 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde,
19161-44-5,
4-methoxytetrafluorobenzaldehyde,
SCHEMBL18241122,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.112g/mol |
| Monoisotopic Mass | 208.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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