| CAS Number | 1431329-77-9 |
| Catalog Number | AG00VRQL(AGN-PC-0WAOXR) |
| Chemical Name | 4-Methoxy-3-methyl-5-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 4-methoxy-3-methyl-5-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C10H9F3O2/c1-6-3-7(5-14)4-8(9(6)15-2)10(11,12)13/h3-5H,1-2H3 |
| InChI Key | UJHKXHXOLJJFDF-UHFFFAOYSA-N |
| MDL Number | MFCD22682818 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.1725 |
| SMILES | C(=O)([H])C1C=C(C(F)(F)F)C(OC)=C(C)C=1 |
| Synonyms | 4-Methoxy-3-methyl-5-(trifluoromethyl)benzaldehyde,
1431329-77-9,
MFCD22682818,
SCHEMBL16077415,
ZINC96029408,
JS-5094,
PC302886,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.175g/mol |
| Monoisotopic Mass | 218.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number