1-Boc-4-bromo-1H-indazole - CAS 926922-37-4
Catalog: |
BB040597 |
Product Name: |
1-Boc-4-bromo-1H-indazole |
CAS: |
926922-37-4 |
Synonyms: |
4-bromo-1-indazolecarboxylic acid tert-butyl ester; tert-butyl 4-bromoindazole-1-carboxylate |
IUPAC Name: | tert-butyl 4-bromoindazole-1-carboxylate |
Description: | 1-Boc-4-bromo-1H-indazole (CAS# 926922-37-4) is a useful research chemical. |
Molecular Weight: | 297.15 |
Molecular Formula: | C12H13BrN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC=C2)Br |
InChI: | InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-6-4-5-9(13)8(10)7-14-15/h4-7H,1-3H3 |
InChI Key: | OFVPGIHEBLOESV-UHFFFAOYSA-N |
MDL: | MFCD11110271 |
LogP: | 3.58200 |
Publication Number | Title | Priority Date |
JP-2020045306-A | Amide derivatives containing heterocycloalkyl rings | 20180918 |
EP-3643703-A1 | Ep300/crebbp inhibitor | 20170621 |
JP-WO2018235966-A1 | EP300 / CREBBP inhibitor | 20170621 |
TW-201906838-A | EP300/CREBBP inhibitor | 20170621 |
WO-2018235966-A1 | EP300 / CREBBP inhibitor | 20170621 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.01604 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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