| CAS Number | 1247173-31-4 |
| Catalog Number | AG01DYKA |
| Chemical Name | 4-(4-Chloro-1H-pyrazol-1-yl)-2-methylbenzaldehyde |
| IUPAC Name | 4-(4-chloropyrazol-1-yl)-2-methylbenzaldehyde |
| InChI | InChI=1S/C11H9ClN2O/c1-8-4-11(3-2-9(8)7-15)14-6-10(12)5-13-14/h2-7H,1H3 |
| InChI Key | ZTDCXXRIVARRJV-UHFFFAOYSA-N |
| MDL Number | MFCD16686635 |
| Molecular Formula | C11H9ClN2O |
| Molecular Weight | 220.655 |
| SMILES | CC1=C(C=O)C=CC(N2N=CC(Cl)=C2)=C1 |
| Synonyms | 4-(4-chloro-1H-pyrazol-1-yl)-2-methylbenzaldehyde,
1247173-31-4,
AKOS011416702,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.656g/mol |
| Monoisotopic Mass | 220.04g/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