2-((6-Chloropyridazin-3-yl)methyl)isoindoline-1,3-dione - CAS 948996-03-0
Catalog: |
BB070260 |
Product Name: |
2-((6-Chloropyridazin-3-yl)methyl)isoindoline-1,3-dione |
CAS: |
948996-03-0 |
Synonyms: |
2-((6-Chloropyridazin-3-yl)methyl)isoindoline-1,3-dione; 2-[(6-chloropyridazin-3-yl)methyl]isoindole-1,3-dione; 2-[(6-chloropyridazin-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione |
IUPAC Name: | 2-[(6-chloropyridazin-3-yl)methyl]isoindole-1,3-dione |
Description: | 2-((6-Chloropyridazin-3-yl)methyl)isoindoline-1,3-dione |
Molecular Weight: | 273.68 |
Molecular Formula: | C13H8ClN3O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NN=C(C=C3)Cl |
InChI: | InChI=1S/C13H8ClN3O2/c14-11-6-5-8(15-16-11)7-17-12(18)9-3-1-2-4-10(9)13(17)19/h1-6H,7H2 |
InChI Key: | USJYLXOIXHYZKF-UHFFFAOYSA-N |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.0305042 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.0305042 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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