| CAS Number | 103108-04-9 |
| Catalog Number | AG01B9G0(AGN-PC-0OS51U) |
| Chemical Name | 2-(4-(Trifluoromethyl)phenyl)propanal |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]propanal |
| InChI | InChI=1S/C10H9F3O/c1-7(6-14)8-2-4-9(5-3-8)10(11,12)13/h2-7H,1H3 |
| InChI Key | DSSWFPLIMLGSAD-UHFFFAOYSA-N |
| MDL Number | MFCD18909075 |
| Molecular Formula | C10H9F3O |
| Molecular Weight | 202.1731 |
| SMILES | CC(C1=CC=C(C(F)(F)F)C=C1)C=O |
| Synonyms | 2-[4-(trifluoromethyl)phenyl]propanal,
103108-04-9,
2-(4-(Trifluoromethyl)phenyl)propanal,
SCHEMBL2702140,
DSSWFPLIMLGSAD-UHFFFAOYSA-N,
AKOS015156077,
(4-trifluoromethylphenyl)propionaldehyde,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.176g/mol |
| Monoisotopic Mass | 202.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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