| CAS Number | 1154284-12-4 |
| Catalog Number | AG01A3IJ |
| Chemical Name | 3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-tert-butyl-1-(2-chlorophenyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C14H15ClN2O/c1-14(2,3)13-10(9-18)8-17(16-13)12-7-5-4-6-11(12)15/h4-9H,1-3H3 |
| InChI Key | POXLEZJZBOEOGA-UHFFFAOYSA-N |
| MDL Number | MFCD12069393 |
| Molecular Formula | C14H15ClN2O |
| Molecular Weight | 262.7347 |
| SMILES | CC(C1C(C=O)=CN(C2=C(Cl)C=CC=C2)N=1)(C)C |
| Synonyms | 3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazole-4-carbaldehyde,
1154284-12-4,
ZINC37295198,
NE15391,
|
| Complexity | 303 |
| 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 | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number