| CAS Number | 1554159-63-5 |
| Catalog Number | AG01DVN6 |
| Chemical Name | 2-(2H-1,2,3-triazol-2-yl)acetonitrile |
| IUPAC Name | 2-(triazol-2-yl)acetonitrile |
| InChI | InChI=1S/C4H4N4/c5-1-4-8-6-2-3-7-8/h2-3H,4H2 |
| InChI Key | KJBVJICJPIWZMW-UHFFFAOYSA-N |
| MDL Number | MFCD28635447 |
| Molecular Formula | C4H4N4 |
| Molecular Weight | 108.1014 |
| SMILES | N#CCN1N=CC=N1 |
| Synonyms | 2-(2H-1,2,3-triazol-2-yl)acetonitrile,
1554159-63-5,
SCHEMBL11416625,
ZINC59802257,
SC-88407,
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 108.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 108.104g/mol |
| Monoisotopic Mass | 108.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number