| CAS Number | 139157-43-0 |
| Catalog Number | AG01A2M5(AGN-PC-0PNWZC) |
| Chemical Name | 1-Benzyl-5-chloro-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-benzyl-5-chloro-3-propan-2-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C14H15ClN2O/c1-10(2)13-12(9-18)14(15)17(16-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3 |
| InChI Key | IAILTMQZTBPZMQ-UHFFFAOYSA-N |
| MDL Number | MFCD11540929 |
| Molecular Formula | C14H15ClN2O |
| Molecular Weight | 262.7347 |
| SMILES | CC(C1C(C=O)=C(Cl)N(CC2=CC=CC=C2)N=1)C |
| Synonyms | 1-benzyl-5-chloro-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde,
139157-43-0,
ZINC34770573,
NE27229,
5-Chloro-1-benzyl-3-isopropyl-1H-pyrazole-4-carbaldehyde,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.737g/mol |
| Monoisotopic Mass | 262.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number