| CAS Number | 1261622-11-0 |
| Catalog Number | AG01DDX4(AGN-PC-0A584S) |
| Chemical Name | 4-Methyl-2-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 4-methyl-2-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C9H7F3O/c1-6-2-3-7(5-13)8(4-6)9(10,11)12/h2-5H,1H3 |
| InChI Key | RQGFDHVQVPULNA-UHFFFAOYSA-N |
| MDL Number | MFCD18399857 |
| Molecular Formula | C9H7F3O |
| Molecular Weight | 188.1465 |
| SMILES | FC(F)(F)C1=CC(C)=CC=C1C=O |
| Synonyms | 4-methyl-2-(trifluoromethyl)benzaldehyde,
1261622-11-0,
SCHEMBL10408709,
ZINC198855835,
PS-11503,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.149g/mol |
| Monoisotopic Mass | 188.045g/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