| CAS Number | 1310379-49-7 |
| Catalog Number | AG01AOM7(AGN-PC-0WBDCH) |
| Chemical Name | 2-(4-Chloro-1-methyl-1H-pyrazol-5-yl)acetonitrile |
| IUPAC Name | 2-(4-chloro-2-methylpyrazol-3-yl)acetonitrile |
| InChI | InChI=1S/C6H6ClN3/c1-10-6(2-3-8)5(7)4-9-10/h4H,2H2,1H3 |
| InChI Key | RYQYFRNFBPOQFL-UHFFFAOYSA-N |
| MDL Number | MFCD20491516 |
| Molecular Formula | C6H6ClN3 |
| Molecular Weight | 155.5849 |
| SMILES | CN1C(CC#N)=C(Cl)C=N1 |
| Synonyms | 1310379-49-7,
2-(4-Chloro-1-methyl-1H-pyrazol-5-yl)acetonitrile,
(4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)ACETONITRILE,
MFCD20491516,
SBB073841,
ZINC72209653,
AKOS015920866,
FCH1417682,
MCULE-8531637030,
EN300-232683,
2-(4-chloro-1-methylpyrazol-5-yl)ethanenitrile,
2-(4-chloro-2-methyl-pyrazol-3-yl)acetonitrile,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.585g/mol |
| Monoisotopic Mass | 155.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number