| CAS Number | 1333319-50-8 |
| Catalog Number | AG0014OL(AGN-PC-0WCL1J) |
| Chemical Name | 5-Methylpyridazine-3-carbonitrile |
| IUPAC Name | 5-methylpyridazine-3-carbonitrile |
| InChI | InChI=1S/C6H5N3/c1-5-2-6(3-7)9-8-4-5/h2,4H,1H3 |
| InChI Key | HSIMDIPRYJNWOG-UHFFFAOYSA-N |
| MDL Number | MFCD18909488 |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.1240 |
| SMILES | CC1=CC(C#N)=NN=C1 |
| Synonyms | 5-methylpyridazine-3-carbonitrile,
1333319-50-8,
DTXSID10745117,
KS-000007RZ,
3-Pyridazinecarbonitrile, 5-methyl-,
MFCD18909488,
ZINC91366447,
AKOS016845291,
FCH1011978,
PB11387,
AS-51367,
AJ-131684,
AX8253473,
4CH-005259,
CS-0050430,
J3.614.749K,
Q-3507,
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| Complexity | 135 |
| 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 | 0 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number