| CAS Number | 1354455-01-8 |
| Catalog Number | AG01DF4V(AGN-PC-0WNVYA) |
| Chemical Name | 5-chloro-4-(2-hydroxyethyl)pyridazin-3(2H)-one |
| IUPAC Name | 4-chloro-5-(2-hydroxyethyl)-1H-pyridazin-6-one |
| InChI | InChI=1S/C6H7ClN2O2/c7-5-3-8-9-6(11)4(5)1-2-10/h3,10H,1-2H2,(H,9,11) |
| InChI Key | ATNDPLLNKNMMIJ-UHFFFAOYSA-N |
| MDL Number | MFCD29918168 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.5850 |
| SMILES | O=c1[nH]ncc(Cl)c1CCO |
| Synonyms | 1354455-01-8,
5-Chloro-4-(2-hydroxyethyl)pyridazin-3-ol,
5-chloro-4-(2-hydroxyethyl)pyridazin-3(2H)-one,
5-chloro-4-(2-hydroxyethyl)-3(2H)-Pyridazinone,
CS-0062252,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.584g/mol |
| Monoisotopic Mass | 174.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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