| CAS Number | 27349-80-0 |
| Catalog Number | AG00CEBI(AGN-PC-0WA8XX) |
| Chemical Name | 3-Pyridazineacetonitrile |
| IUPAC Name | 2-pyridazin-3-ylacetonitrile |
| InChI | InChI=1S/C6H5N3/c7-4-3-6-2-1-5-8-9-6/h1-2,5H,3H2 |
| InChI Key | SPJOPCDICFIYGR-UHFFFAOYSA-N |
| MDL Number | MFCD17015868 |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.1240 |
| SMILES | N#CCC1=NN=CC=C1 |
| Synonyms | 2-(PYRIDAZIN-3-YL)ACETONITRILE,
27349-80-0,
3-PYRIDAZINEACETONITRILE,
pyridazine-3-acetonitrile,
SCHEMBL3680323,
KS-000002WT,
MFCD17015868,
ZINC63046485,
AKOS012506402,
PB25604,
AS-43106,
ST1130897,
CS-0052211,
Q-3732,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.127g/mol |
| Monoisotopic Mass | 119.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number