| CAS Number | 1043918-77-9 |
| Catalog Number | AG00JSQM(AGN-PC-0WBPWG) |
| Chemical Name | 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C8H11ClN2O/c1-5(2)7-6(4-12)8(9)11(3)10-7/h4-5H,1-3H3 |
| InChI Key | UKQGPFHWTAMXCP-UHFFFAOYSA-N |
| MDL Number | MFCD11185414 |
| Molecular Formula | C8H11ClN2O |
| Molecular Weight | 186.6387 |
| SMILES | CC(C1C(C=O)=C(Cl)N(C)N=1)C |
| Synonyms | 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde,
1043918-77-9,
AC1Q1OXU,
SCHEMBL407072,
CTK7H8285,
KS-00001KEM,
MFCD11185414,
ZINC36378493,
AKOS009319500,
AB63743,
MCULE-2226508698,
NE15072,
EN300-43769,
F8889-7917,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.639g/mol |
| Monoisotopic Mass | 186.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number