| CAS Number | 1780924-86-8 |
| Catalog Number | AG01C315 |
| Chemical Name | 6-Chloropyridazine-4-carbonitrile |
| IUPAC Name | 6-chloropyridazine-4-carbonitrile |
| InChI | InChI=1S/C5H2ClN3/c6-5-1-4(2-7)3-8-9-5/h1,3H |
| InChI Key | NSQPONCZGYQHKH-UHFFFAOYSA-N |
| MDL Number | MFCD26516474 |
| Molecular Formula | C5H2ClN3 |
| Molecular Weight | 139.5425 |
| SMILES | ClC1=CC(=CN=N1)C#N |
| Synonyms | 6-chloropyridazine-4-carbonitrile,
1780924-86-8,
3-chloro-5-cyanopyridazine,
SCHEMBL7671520,
NSQPONCZGYQHKH-UHFFFAOYSA-N,
ZINC142129516,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.542g/mol |
| Monoisotopic Mass | 138.994g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number