| CAS Number | 956780-60-2 |
| Catalog Number | AG019K0P |
| Chemical Name | 5-chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C9H13ClN2O/c1-6(2)4-12-9(10)8(5-13)7(3)11-12/h5-6H,4H2,1-3H3 |
| InChI Key | UOVSFOKWXPOGJC-UHFFFAOYSA-N |
| MDL Number | MFCD07310641 |
| Molecular Formula | C9H13ClN2O |
| Molecular Weight | 200.6653 |
| SMILES | CC(CN1C(Cl)=C(C=O)C(C)=N1)C |
| Synonyms | 5-chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde,
956780-60-2,
5-chloro-1-isobutyl-3-methyl-1H-pyrazole-4-carbaldehyde,
AC1NMTTO,
AC1Q1PMO,
CTK7H8041,
ZINC6652635,
AKOS009013213,
NE39130,
EN300-10901,
5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbaldehyde,
ZINC06652635,
CID5015913,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.666g/mol |
| Monoisotopic Mass | 200.072g/mol |
| Rotatable Bond Count | 3 |
| 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