| CAS Number | 888739-67-1 |
| Catalog Number | AG00GUWQ |
| Chemical Name | 2-methyl-4-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 2-methyl-4-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C9H7F3O/c1-6-4-8(9(10,11)12)3-2-7(6)5-13/h2-5H,1H3 |
| InChI Key | KOTSMKHJROJDLP-UHFFFAOYSA-N |
| MDL Number | MFCD18399853 |
| Molecular Formula | C9H7F3O |
| Molecular Weight | 188.1465 |
| SMILES | O=Cc1ccc(cc1C)C(F)(F)F |
| Synonyms | 2-METHYL-4-(TRIFLUOROMETHYL)BENZALDEHYDE,
888739-67-1,
SCHEMBL3033291,
DTXSID80633118,
KOTSMKHJROJDLP-UHFFFAOYSA-N,
MFCD18399853,
ZINC66322932,
AKOS027425869,
C-2572,
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| 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 |
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Certificate of Analysis
Lot Number