| CAS Number | 1172278-17-9 |
| Catalog Number | AG019NEA(AGN-PC-0WO43E) |
| Chemical Name | 4-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)benzaldehyde |
| IUPAC Name | 4-[3-(trifluoromethyl)pyrazol-1-yl]benzaldehyde |
| InChI | InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-6-16(15-10)9-3-1-8(7-17)2-4-9/h1-7H |
| InChI Key | RIMOQNXDOVWXGJ-UHFFFAOYSA-N |
| MDL Number | MFCD11505560 |
| Molecular Formula | C11H7F3N2O |
| Molecular Weight | 240.1813 |
| SMILES | FC(C1=NN(C2=CC=C(C=O)C=C2)C=C1)(F)F |
| Synonyms | 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzaldehyde,
1172278-17-9,
4-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)benzaldehyde,
AC1Q4JH0,
SCHEMBL4301398,
CTK7H9423,
RIMOQNXDOVWXGJ-UHFFFAOYSA-N,
2603AJ,
MFCD11505560,
ZINC32627801,
AKOS005945560,
MCULE-7488021243,
NE44227,
AJ-85422,
AS-55103,
BB 0261720,
EN300-40182,
4-(3-Trifluoromethyl-pyrazol-1-yl)-benzaldehyde,
C11H7F3N2O,
ACN-027384,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number