| CAS Number | 134099-31-3 |
| Catalog Number | AG01FHG4(AGN-PC-0WCN23) |
| Chemical Name | 2,4-Difluoro-5-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 2,4-difluoro-5-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H3F5O/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-3H |
| InChI Key | BTULJAYQJSSINL-UHFFFAOYSA-N |
| MDL Number | MFCD27664920 |
| Molecular Formula | C8H3F5O |
| Molecular Weight | 210.1008 |
| SMILES | O=Cc1cc(c(cc1F)F)C(F)(F)F |
| Synonyms | 2,4-difluoro-5-(trifluoromethyl)benzaldehyde,
134099-31-3,
SCHEMBL9340536,
MFCD27664920,
AKOS030234714,
ZINC138847486,
FCH2492813,
PC500195,
PS-11418,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number