| CAS Number | 1260878-98-5 |
| Catalog Number | AG01B2CO |
| Chemical Name | 2-chloro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(2-methylpyrazol-3-yl)ethanone |
| InChI | InChI=1S/C6H7ClN2O/c1-9-5(2-3-8-9)6(10)4-7/h2-3H,4H2,1H3 |
| InChI Key | OLWHWHMELLDQPV-UHFFFAOYSA-N |
| MDL Number | MFCD11847299 |
| Molecular Formula | C6H7ClN2O |
| Molecular Weight | 158.5856 |
| SMILES | CN1C(C(CCl)=O)=CC=N1 |
| Synonyms | 2-chloro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-one,
1260878-98-5,
ZINC83141800,
AKOS017518027,
SC-32719,
2-CHLORO-1-(1-METHYL-1H-PYRAZOL-5-YL)ETHANONE,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.585g/mol |
| Monoisotopic Mass | 158.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number