5-Bromo-6-chloroindole - CAS 122531-09-3
Catalog: |
BB005418 |
Product Name: |
5-Bromo-6-chloroindole |
CAS: |
122531-09-3 |
Synonyms: |
5-bromo-6-chloro-1H-indole; 5-bromo-6-chloro-1H-indole |
IUPAC Name: | 5-bromo-6-chloro-1H-indole |
Description: | 5-Bromo-6-chloro-1H-indole was used in the study to prepare indole derivatives as intermediates for agrochemicals and drugs. |
Molecular Weight: | 230.49 |
Molecular Formula: | C8H5BrClN |
Canonical SMILES: | C1=CNC2=CC(=C(C=C21)Br)Cl |
InChI: | InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H |
InChI Key: | SMZUROGBNBCCPT-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD11848566 |
LogP: | 3.58380 |
Publication Number | Title | Priority Date |
WO-2021204823-A1 | (1 h-indol-5-yl)acrylamide derivatives as inhibitors of tead proteins and the hippo-yap1/taz signaling cascade for the treatment of cancer | 20200407 |
CN-112572984-A | Liquid sealing box and liquid feeding method | 20190927 |
EP-3628669-A1 | Novel compounds as nadph oxidase inhibitors | 20180928 |
WO-2020065048-A1 | Novel compounds as nadph oxidase inhibitors | 20180928 |
EP-3856736-A1 | Novel compounds as nadph oxidase inhibitors | 20180928 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.92939 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.92939 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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