| CAS Number | 134099-33-5 |
| Catalog Number | AG01BCBK |
| Chemical Name | 2,5-Difluoro-4-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 2,5-difluoro-4-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H3F5O/c9-6-2-5(8(11,12)13)7(10)1-4(6)3-14/h1-3H |
| InChI Key | ABRSPLYHKGFMBR-UHFFFAOYSA-N |
| MDL Number | MFCD28714769 |
| Molecular Formula | C8H3F5O |
| Molecular Weight | 210.1008 |
| SMILES | FC1=C(C=O)C=C(F)C(C(F)(F)F)=C1 |
| Synonyms | 2,5-difluoro-4-(trifluoromethyl)benzaldehyde,
134099-33-5,
SCHEMBL12725572,
ZINC202901468,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.103g/mol |
| Monoisotopic Mass | 210.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number