| CAS Number | 1171541-96-0 |
| Catalog Number | AG019CZ2(AGN-PC-0WBC7G) |
| Chemical Name | (1-Ethyl-1h-pyrazol-3-yl)acetonitrile |
| IUPAC Name | 2-(1-ethylpyrazol-3-yl)acetonitrile |
| InChI | InChI=1S/C7H9N3/c1-2-10-6-4-7(9-10)3-5-8/h4,6H,2-3H2,1H3 |
| InChI Key | ZXXDFNZUOONVLE-UHFFFAOYSA-N |
| MDL Number | MFCD09834154 |
| Molecular Formula | C7H9N3 |
| Molecular Weight | 135.1665 |
| SMILES | CCN1N=C(CC#N)C=C1 |
| Synonyms | 2-(1-Ethyl-1H-pyrazol-3-yl)acetonitrile,
1171541-96-0,
(1-ethyl-1H-pyrazol-3-yl)acetonitrile,
2-(1-ethylpyrazol-3-yl)ethanenitrile,
MFCD09834154,
SBB025729,
STK352657,
ZINC12397777,
2-(1-ethylpyrazol-3-yl)acetonitrile,
AKOS005168607,
MCULE-9912922967,
ST45133986,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.17g/mol |
| Monoisotopic Mass | 135.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number