1-Boc-3-bromo-5-nitro-1H-indazole - CAS 473416-22-7
Catalog: |
BB026262 |
Product Name: |
1-Boc-3-bromo-5-nitro-1H-indazole |
CAS: |
473416-22-7 |
Synonyms: |
3-bromo-5-nitro-1-indazolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-5-nitroindazole-1-carboxylate |
IUPAC Name: | tert-butyl 3-bromo-5-nitroindazole-1-carboxylate |
Description: | 1-Boc-3-bromo-5-nitro-1H-indazole (CAS# 473416-22-7) is a useful research chemical. |
Molecular Weight: | 342.15 |
Molecular Formula: | C12H12BrN3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)Br |
InChI: | InChI=1S/C12H12BrN3O4/c1-12(2,3)20-11(17)15-9-5-4-7(16(18)19)6-8(9)10(13)14-15/h4-6H,1-3H3 |
InChI Key: | BWYOEKHPBGLTHI-UHFFFAOYSA-N |
LogP: | 4.01340 |
Publication Number | Title | Priority Date |
WO-2021003314-A1 | Heterocyclic compounds as kinase inhibitors | 20190702 |
EP-1633740-A2 | Chemical compounds | 20030619 |
EP-1633740-A4 | CHEMICAL COMPOUNDS | 20030619 |
EP-1633740-B1 | 5-(acylamino)indazole derivatives as kinase inhibitors | 20030619 |
ES-2374272-T3 | DERIVATIVES OF 5- (ACILAMINE) INDAZOL AS QUINASE INHIBITORS. | 20030619 |
Complexity: | 407 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 341.00112 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 341.00112 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 89.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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