| CAS Number | 2138424-49-2 |
| Catalog Number | AG01EIN6 |
| Chemical Name | 1-[4-chloro-3-(4-chlorophenyl)phenyl]-2,3-dihydro-1H-pyrazol-3-one |
| IUPAC Name | 2-[4-chloro-3-(4-chlorophenyl)phenyl]-1H-pyrazol-5-one |
| InChI | InChI=1S/C15H10Cl2N2O/c16-11-3-1-10(2-4-11)13-9-12(5-6-14(13)17)19-8-7-15(20)18-19/h1-9H,(H,18,20) |
| InChI Key | RHTXZZQQOLEYRU-UHFFFAOYSA-N |
| MDL Number | MFCD31442885 |
| Molecular Formula | C15H10Cl2N2O |
| Molecular Weight | 305.1587 |
| SMILES | ClC1=CC=C(C2=C(Cl)C=CC(N3NC(=O)C=C3)=C2)C=C1 |
| Synonyms | AKOS034064513,
1-[4-chloro-3-(4-chlorophenyl)phenyl]-2,3-dihydro-1H-pyrazol-3-one,
2138424-49-2,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.158g/mol |
| Monoisotopic Mass | 304.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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