| CAS Number | 1788054-90-9 |
| Catalog Number | AG0026DR(AGN-PC-0WBRFK) |
| Chemical Name | 1H-Indazol-5-amine, 3-bromo-1-(tetrahydro-2H-pyran-2-yl)- |
| IUPAC Name | 3-bromo-1-(oxan-2-yl)indazol-5-amine |
| InChI | InChI=1S/C12H14BrN3O/c13-12-9-7-8(14)4-5-10(9)16(15-12)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6,14H2 |
| InChI Key | FITFDPUUMBYADB-UHFFFAOYSA-N |
| MDL Number | MFCD28501496 |
| Molecular Formula | C12H14BrN3O |
| Molecular Weight | 296.1631 |
| SMILES | NC1=CC2=C(N(C3CCCCO3)N=C2Br)C=C1 |
| Synonyms | 1788054-90-9,
3-Bromo-1-(oxan-2-yl)-1H-indazol-5-amine,
3-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine,
MFCD28501496,
AKOS025396302,
KS-0000053D,
AK173950,
AS-52295,
CS-0051501,
3-Bromo-1-tetrahydropyran-2-yl-indazol-5-amine,
1H-Indazol-5-amine, 3-bromo-1-(tetrahydro-2H-pyran-2-yl)-,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.168g/mol |
| Monoisotopic Mass | 295.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number