1-Boc-6-bromoindoline - CAS 214614-97-8
Catalog: |
BB016882 |
Product Name: |
1-Boc-6-bromoindoline |
CAS: |
214614-97-8 |
Synonyms: |
6-bromo-2,3-dihydroindole-1-carboxylic acid tert-butyl ester; tert-butyl 6-bromo-2,3-dihydroindole-1-carboxylate |
IUPAC Name: | tert-butyl 6-bromo-2,3-dihydroindole-1-carboxylate |
Description: | 1-Boc-6-bromoindoline (CAS# 214614-97-8) is a useful research chemical. |
Molecular Weight: | 298.18 |
Molecular Formula: | C13H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-5,8H,6-7H2,1-3H3 |
InChI Key: | GZRAIVDYVLYXJQ-UHFFFAOYSA-N |
LogP: | 3.81170 |
Publication Number | Title | Priority Date |
WO-2016025932-A1 | Substituted polycyclic antibacterial compounds | 20140815 |
DK-2669270-T3 | Indole-related compounds such as URAT1 inhibitors | 20110128 |
EP-2669270-A1 | Ring-fused compound | 20110128 |
EP-2669270-B1 | Indole-related compounds as urat1 inhibitors | 20110128 |
JP-2017008079-A | Fused ring compound | 20110128 |
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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