| CAS Number | 926205-25-6 |
| Catalog Number | AG019GTB |
| Chemical Name | 5-(3-Fluoro-phenoxy)-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C17H13FN2O2/c1-12-16(11-21)17(22-15-9-5-6-13(18)10-15)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3 |
| InChI Key | PGCLRPPPHZSBNM-UHFFFAOYSA-N |
| MDL Number | MFCD06660580 |
| Molecular Formula | C17H13FN2O2 |
| Molecular Weight | 296.2957 |
| SMILES | CC1C(C=O)=C(OC2=CC(F)=CC=C2)N(C2=CC=CC=C2)N=1 |
| Synonyms | 5-(3-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde,
926205-25-6,
5-(3-Fluoro-phenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde,
AC1MVMTN,
AC1Q2PNX,
CTK7H8054,
ZINC3885109,
AKOS000121669,
NE48529,
EN300-01087,
5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde,
ZINC03885109,
CID3685731,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.301g/mol |
| Monoisotopic Mass | 296.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number