2-(2-Aminoethyl)-6-(4-chlorophenyl)pyridazin-3(2h)-one - CAS 1181312-69-5
Catalog: |
BB054832 |
Product Name: |
2-(2-Aminoethyl)-6-(4-chlorophenyl)pyridazin-3(2h)-one |
CAS: |
1181312-69-5 |
Synonyms: |
2-(2-aminoethyl)-6-(4-chlorophenyl)pyridazin-3(2H)-one; 2-(2-aminoethyl)-6-(4-chlorophenyl)pyridazin-3-one; 2-(2-aminoethyl)-6-(4-chlorophenyl)-2,3-dihydropyridazin-3-one |
IUPAC Name: | 2-(2-aminoethyl)-6-(4-chlorophenyl)pyridazin-3-one |
Molecular Weight: | 249.69 |
Molecular Formula: | C12H12ClN3O |
Canonical SMILES: | C1=CC(=CC=C1C2=NN(C(=O)C=C2)CCN)Cl |
InChI: | InChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)11-5-6-12(17)16(15-11)8-7-14/h1-6H,7-8,14H2 |
InChI Key: | CPPYQODHFZJTID-UHFFFAOYSA-N |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.0668897 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.0668897 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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