| CAS Number | 1369504-59-5 |
| Catalog Number | AG009YBF(AGN-PC-0WNW8Y) |
| Chemical Name | 2-Fluoro-6-(trifluoromethoxy)benzaldehyde |
| IUPAC Name | 2-fluoro-6-(trifluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C8H4F4O2/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-4H |
| InChI Key | JTJYJVPLURTIBA-UHFFFAOYSA-N |
| MDL Number | MFCD23099654 |
| Molecular Formula | C8H4F4O2 |
| Molecular Weight | 208.1098 |
| SMILES | O=CC1=C(OC(F)(F)F)C=CC=C1F |
| Synonyms | 2-Fluoro-6-(trifluoromethoxy)benzaldehyde,
1369504-59-5,
MFCD23099654,
ZINC95704950,
AS-41058,
|
| Complexity | 204 |
| 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 | 2.7 |
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Certificate of Analysis
Lot Number