| CAS Number | 395101-69-6 |
| Catalog Number | AG00I7RX(AGN-PC-03RXKX) |
| Chemical Name | 3-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-5-carbonitrile |
| IUPAC Name | 3-bromo-1-(oxan-2-yl)indazole-5-carbonitrile |
| InChI | InChI=1S/C13H12BrN3O/c14-13-10-7-9(8-15)4-5-11(10)17(16-13)12-3-1-2-6-18-12/h4-5,7,12H,1-3,6H2 |
| InChI Key | IZJBRHVACFOJFY-UHFFFAOYSA-N |
| MDL Number | MFCD23099167 |
| Molecular Formula | C13H12BrN3O |
| Molecular Weight | 306.1579 |
| SMILES | BrC1=NN(C2CCCCO2)C2=C1C=C(C=C2)C#N |
| Synonyms | 3-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-5-carbonitrile,
395101-69-6,
SCHEMBL4047193,
IZJBRHVACFOJFY-UHFFFAOYSA-N,
MFCD23099167,
AKOS027252921,
AS-49445,
3-bromo 1-perhydro-2H-pyran-2-yl-1H-indazole-5-carbonitrile,
3-Bromo-1-(tetrahydro-2-pyranyl)-1H-indazole-5-carbonitrile,
3-bromo-1-(tetrahydro-pyran-2-yl)-1H-indazole-5-carbonitrile,
3-bromo-1-(tetrahydro-pyran-2-yl)1H-indazole-5-carbonitrile,
3-bromo-1-perhydro-2H-pyran-2-yl-1H-indazole-5-carbonitrile,
3-bromo-1-perhydro-2H-pyran-2-yl-1H-indazole-5carbonitrile,
3-bromo-1-perhydro2H-pyran-2-yl-1H-indazole-5-carbonitrile,
3bromo-1-perhydro-2h-pyran-2-yl-1h-indazole-5-carbonitrile,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.163g/mol |
| Monoisotopic Mass | 305.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number