| CAS Number | 1426830-32-1 |
| Catalog Number | AG01ACZL |
| Chemical Name | 1-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H7F3N2O/c12-11(13,14)9-1-3-10(4-2-9)16-6-8(7-17)5-15-16/h1-7H |
| InChI Key | VNUOVMAXQXJRSC-UHFFFAOYSA-N |
| MDL Number | MFCD25091410 |
| Molecular Formula | C11H7F3N2O |
| Molecular Weight | 240.1813 |
| SMILES | O=CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1 |
| Synonyms | 1426830-32-1,
1-[4-(Trifluoromethyl)phenyl]pyrazole-4-carbaldehyde,
1-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-4-carbaldehyde,
1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde,
1-(4-trifluoromethylphenyl)-1H-pyrazole-4-carbaldehyde,
AKOS019819793,
ZINC128899579,
SY042547,
MFCD25091410 (95%),
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.185g/mol |
| Monoisotopic Mass | 240.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number