| CAS Number | 926190-13-8 |
| Catalog Number | AG019IWD(AGN-PC-0WO2WI) |
| Chemical Name | 1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(4-fluorophenyl)-3-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H9FN2O/c1-8-9(7-15)6-14(13-8)11-4-2-10(12)3-5-11/h2-7H,1H3 |
| InChI Key | QBIRXXWIZRAALG-UHFFFAOYSA-N |
| MDL Number | MFCD06336102 |
| Molecular Formula | C11H9FN2O |
| Molecular Weight | 204.2004 |
| SMILES | CC1C(C=O)=CN(C2=CC=C(F)C=C2)N=1 |
| Synonyms | 1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE,
926190-13-8,
AC1M2J4J,
CTK7I0271,
ZINC2654607,
AKOS002433902,
NE24762,
1-(4-fluorophenyl)-3-methylpyrazole-4-carbaldehyde,
ZINC02654607,
CID2118119,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.204g/mol |
| Monoisotopic Mass | 204.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number