N-Boc-4-bromoindoline - CAS 885272-46-8
Catalog: |
BB038924 |
Product Name: |
N-Boc-4-bromoindoline |
CAS: |
885272-46-8 |
Synonyms: |
4-bromo-2,3-dihydroindole-1-carboxylic acid tert-butyl ester; tert-butyl 4-bromo-2,3-dihydroindole-1-carboxylate |
IUPAC Name: | tert-butyl 4-bromo-2,3-dihydroindole-1-carboxylate |
Description: | N-Boc-4-bromoindoline (CAS# 885272-46-8) is a useful research chemical. |
Molecular Weight: | 298.18 |
Molecular Formula: | C13H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C1C=CC=C2Br |
InChI: | InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3 |
InChI Key: | DUZIJTYKDFFQDJ-UHFFFAOYSA-N |
LogP: | 3.81170 |
Publication Number | Title | Priority Date |
WO-2021149767-A1 | Heterocyclic derivative | 20200122 |
WO-2021141041-A1 | Therapeutic agent for tauopathies | 20200107 |
WO-2021039961-A1 | Ring-fused pyrazole derivative | 20190830 |
WO-2020017587-A1 | Pyridazinone derivative | 20180719 |
CN-112672997-A | Pyridazinone derivatives | 20180719 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.03644 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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