| CAS Number | 214541-51-2 |
| Catalog Number | AG007QEX |
| Chemical Name | 4-(1H-Indazol-3-yl)butan-2-one |
| IUPAC Name | 4-(2H-indazol-3-yl)butan-2-one |
| InChI | InChI=1S/C11H12N2O/c1-8(14)6-7-11-9-4-2-3-5-10(9)12-13-11/h2-5H,6-7H2,1H3,(H,12,13) |
| InChI Key | CDLAOGKXZIBTLH-UHFFFAOYSA-N |
| MDL Number | MFCD11100679 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.1986 |
| SMILES | OC(CCC1C2=C(C=CC=C2)NN=1)=O |
| Synonyms | 4-(1H-INDAZOL-3-YL)BUTAN-2-ONE,
214541-51-2,
4-(2H-indazol-3-yl)butan-2-one,
1021910-43-9,
SCHEMBL4881861,
CTK4E6829,
DTXSID00699074,
ZINC35569857,
AKOS006307898,
MCULE-1560437209,
NE31672,
DA-48307,
FT-0728977,
Z1638523280,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number