5-Bromo-3,3-dimethyl-1-indanone - CAS 67159-85-7
Catalog: |
BB033203 |
Product Name: |
5-Bromo-3,3-dimethyl-1-indanone |
CAS: |
67159-85-7 |
Synonyms: |
5-bromo-3,3-dimethyl-2H-inden-1-one; 5-bromo-3,3-dimethyl-2H-inden-1-one |
IUPAC Name: | 5-bromo-3,3-dimethyl-2H-inden-1-one |
Description: | 5-Bromo-3,3-dimethyl-1-indanone (CAS# 67159-85-7 ) is a useful research chemical. |
Molecular Weight: | 239.11 |
Molecular Formula: | C11H11BrO |
Canonical SMILES: | CC1(CC(=O)C2=C1C=C(C=C2)Br)C |
InChI: | InChI=1S/C11H11BrO/c1-11(2)6-10(13)8-4-3-7(12)5-9(8)11/h3-5H,6H2,1-2H3 |
InChI Key: | MVIGYOCYIUJCGE-UHFFFAOYSA-N |
LogP: | 3.31310 |
Publication Number | Title | Priority Date |
KR-20210059632-A | Novel derivatives having 2,3-dihydro-1H-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same | 20191115 |
WO-2021096238-A1 | Novel derivatives having 2,3-dihydro-1h-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same | 20191115 |
WO-2020192650-A1 | Preparation method for amide compound and application thereof in field of medicine | 20190325 |
EP-3447045-A1 | Kcnq 2-5 channel activator | 20160422 |
JP-WO2017183723-A1 | KCNQ2-5 channel activator | 20160422 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.99933 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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