| CAS Number | 1152550-60-1 |
| Catalog Number | AG01AKIG(AGN-PC-0WOBTH) |
| Chemical Name | 2-chloro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(1-methylpyrazol-4-yl)ethanone |
| InChI | InChI=1S/C6H7ClN2O/c1-9-4-5(3-8-9)6(10)2-7/h3-4H,2H2,1H3 |
| InChI Key | BREBYTKRZPCRQM-UHFFFAOYSA-N |
| MDL Number | MFCD10690121 |
| Molecular Formula | C6H7ClN2O |
| Molecular Weight | 158.5856 |
| SMILES | ClCC(=O)C=1C=NN(C1)C |
| Synonyms | 2-chloro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one,
1152550-60-1,
SCHEMBL17801296,
ZINC26515588,
AKOS023093365,
NE33097,
EN300-84207,
F8881-4047,
Z2492395552,
2-chloro-1-(1-methylpyrazol-4-yl)ethanone hydrochloride,
|
| 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 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number