| CAS Number | 136506-63-3 |
| Catalog Number | AG01A2VM |
| Chemical Name | 3-tert-butyl-5-chloro-1-phenyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-tert-butyl-5-chloro-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C14H15ClN2O/c1-14(2,3)12-11(9-18)13(15)17(16-12)10-7-5-4-6-8-10/h4-9H,1-3H3 |
| InChI Key | IPSTWTNQUVRVPI-UHFFFAOYSA-N |
| MDL Number | MFCD11540915 |
| Molecular Formula | C14H15ClN2O |
| Molecular Weight | 262.7347 |
| SMILES | CC(C1C(C=O)=C(Cl)N(C2=CC=CC=C2)N=1)(C)C |
| Synonyms | 3-tert-butyl-5-chloro-1-phenyl-1H-pyrazole-4-carbaldehyde,
136506-63-3,
ZINC37326817,
AKOS009319862,
NE40056,
3-tert-Butyl-1-phenyl-5-chloro-1H-pyrazole-4-carbaldehyde,
|
| Complexity | 297 |
| 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 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number