| CAS Number | 102791-46-8 |
| Catalog Number | AG007YJ6(AGN-PC-00G6VA) |
| Chemical Name | 6-(1H-pyrazol-1-yl)-1,2-dihydroquinolin-2-one |
| IUPAC Name | 6-pyrazol-1-yl-1H-quinolin-2-one |
| InChI | InChI=1S/C12H9N3O/c16-12-5-2-9-8-10(3-4-11(9)14-12)15-7-1-6-13-15/h1-8H,(H,14,16) |
| InChI Key | HFGKTRGWPPAWOL-UHFFFAOYSA-N |
| MDL Number | MFCD09029679 |
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.2194 |
| SMILES | N1(N=CC=C1)C=1C=C2C=CC(NC2=CC1)=O |
| Synonyms | 6-(1-Pyrazolyl)-2-quinolone,
2(1H)-Quinolinone, 6-(1H-pyrazol-1-yl)-,
102791-46-8,
ACMC-20m5r8,
SCHEMBL3973651,
CTK0G7393,
DTXSID50472692,
HFGKTRGWPPAWOL-UHFFFAOYSA-N,
AKOS015962578,
6-pyrazol-1-yl-1H-quinolin-2-one,
CID11789076,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.224g/mol |
| Monoisotopic Mass | 211.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number