| CAS Number | 586950-22-3 |
| Catalog Number | AG00IAFL(AGN-PC-0CW9QX) |
| Chemical Name | 6-(4-iodophenyl)pyridazin-3(2H)-one |
| IUPAC Name | 3-(4-iodophenyl)-1H-pyridazin-6-one |
| InChI | InChI=1S/C10H7IN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14) |
| InChI Key | ZSTRNAWXVSBSPR-UHFFFAOYSA-N |
| MDL Number | MFCD27925929 |
| Molecular Formula | C10H7IN2O |
| Molecular Weight | 298.0799 |
| SMILES | Ic1ccc(cc1)c1ccc(=O)[nH]n1 |
| Synonyms | 6-(4-iodophenyl)pyridazin-3(2H)-one,
586950-22-3,
SCHEMBL928205,
ZSTRNAWXVSBSPR-UHFFFAOYSA-N,
AKOS032964230,
6-(4-iodophenyl)-2h-pyridazin-3-one,
3(2H)-Pyridazinone, 6-(4-iodophenyl)-,
FT-0734514,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.083g/mol |
| Monoisotopic Mass | 297.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number