| CAS Number | 112342-60-6 |
| Catalog Number | AG01B66I(AGN-PC-0JWJUM) |
| Chemical Name | 6-chloro-3-methoxy-1,4-dihydropyridazin-4-one |
| IUPAC Name | 6-chloro-3-methoxy-1H-pyridazin-4-one |
| InChI | InChI=1S/C5H5ClN2O2/c1-10-5-3(9)2-4(6)7-8-5/h2H,1H3,(H,7,9) |
| InChI Key | ASRROVUELRQVMG-UHFFFAOYSA-N |
| MDL Number | MFCD05664510 |
| Molecular Formula | C5H5ClN2O2 |
| Molecular Weight | 160.5584 |
| SMILES | COC1C(=O)C=C(Cl)NN=1 |
| Synonyms | 6-chloro-3-methoxy-1,4-dihydropyridazin-4-one,
112342-60-6,
6-Chloro-3-methoxypyridazin-4(1H)-one,
AC1LGFZM,
CTK7B1952,
ZINC337140,
SBB087465,
AKOS006295467,
6-chloro-3-methoxyhydropyridazin-4-one,
6-chloro-3-methoxy-1H-pyridazin-4-one,
6-chloro-3-methoxy-4(1H)-pyridazinone,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.557g/mol |
| Monoisotopic Mass | 160.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number