| CAS Number | 1936429-06-9 |
| Catalog Number | AG01DJG3 |
| Chemical Name | tert-Butyl 3-bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate |
| IUPAC Name | tert-butyl 3-bromo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate |
| InChI | InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)15-5-4-8-7(6-15)9(12)14-13-8/h4-6H2,1-3H3,(H,13,14) |
| InChI Key | CJOZZZFCHFPLJL-UHFFFAOYSA-N |
| MDL Number | MFCD30751004 |
| Molecular Formula | C11H16BrN3O2 |
| Molecular Weight | 302.1676 |
| SMILES | CC(C)(C)OC(=O)N1CCc2c(c(n[nH]2)Br)C1 |
| Synonyms | tert-butyl 3-bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate,
SCHEMBL17785628,
CJOZZZFCHFPLJL-UHFFFAOYSA-N,
AKOS032952877,
A1-08624,
tert-Butyl 3-bromo-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate,
tert-butyl 3-bromo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate,
1936429-06-9,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.172g/mol |
| Monoisotopic Mass | 301.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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