| CAS Number | 78920-21-5 |
| Catalog Number | AG0054KP(AGN-PC-00JUBV) |
| Chemical Name | 5-Phenylpyridazin-3(2H)-one |
| IUPAC Name | 4-phenyl-1H-pyridazin-6-one |
| InChI | InChI=1S/C10H8N2O/c13-10-6-9(7-11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13) |
| InChI Key | LXUBSTAJRVVVTJ-UHFFFAOYSA-N |
| MDL Number | MFCD11520604 |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.1833 |
| SMILES | O=C1NN=CC(C2=CC=CC=C2)=C1 |
| Synonyms | 3(2H)-Pyridazinone, 5-phenyl-,
78920-21-5,
5-phenylpyridazinone,
5-Phenylpyridazin-3-ol,
SCHEMBL497670,
5-Phenylpyridazin-3(2H)-one,
5-Phenylpyridazine-3(2H)-one,
CTK2G4744,
DTXSID20511825,
LXUBSTAJRVVVTJ-UHFFFAOYSA-N,
AKOS006324299,
5-phenyl-3(2H)-Pyridazinone,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.187g/mol |
| Monoisotopic Mass | 172.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number