| CAS Number | 1050642-24-4 |
| Catalog Number | AG008VC7(AGN-PC-0WB5VQ) |
| Chemical Name | 4-Chloro-3-methyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 4-chloro-5-methyl-1H-pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C5H5ClN2O/c1-3-5(6)4(2-9)8-7-3/h2H,1H3,(H,7,8) |
| InChI Key | CWDZFQGMGASNOB-UHFFFAOYSA-N |
| MDL Number | MFCD16556147 |
| Molecular Formula | C5H5ClN2O |
| Molecular Weight | 144.5590 |
| SMILES | C1(C=O)NN=C(C)C=1Cl |
| Synonyms | 4-Chloro-3-methyl-1H-pyrazole-5-carbaldehyde,
1050642-24-4,
4-chloro-5-methyl-1H-pyrazole-3-carbaldehyde,
SCHEMBL3465701,
DTXSID80679571,
CWDZFQGMGASNOB-UHFFFAOYSA-N,
5598AH,
MFCD16556147,
ZINC49584989,
AKOS006334512,
AJ-111228,
AJ-111229,
Y-7696,
4-chloro-3-methyl-1H-pyrazole-5-carbaldehyde(SALTDATA,
C5H5ClN2O,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.558g/mol |
| Monoisotopic Mass | 144.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number