| CAS Number | 1618-47-9 |
| Catalog Number | AG001VX1(AGN-PC-0NJVG8) |
| Chemical Name | Pyridazine, 3-iodo-6-methyl- |
| IUPAC Name | 3-iodo-6-methylpyridazine |
| InChI | InChI=1S/C5H5IN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3 |
| InChI Key | YJLFNBXIOWKHID-UHFFFAOYSA-N |
| MDL Number | MFCD17016068 |
| Molecular Formula | C5H5IN2 |
| Molecular Weight | 220.0111 |
| SMILES | CC1=NN=C(I)C=C1 |
| Synonyms | 3-iodo-6-methylpyridazine,
1618-47-9,
Pyridazine, 3-iodo-6-methyl-,
3-Methyl-6-iodopyridazine,
3-Iodo-6-methyl-pyridazine,
SCHEMBL336216,
CTK0G9401,
DTXSID50506688,
YJLFNBXIOWKHID-UHFFFAOYSA-N,
MFCD17016068,
ZINC68593324,
AKOS025147105,
PB11607,
KS-0000027T,
AS-33703,
ST1130895,
CS-0051306,
EN300-78958,
Q-1375,
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| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.013g/mol |
| Monoisotopic Mass | 219.95g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number