5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione - CAS 55579-74-3
Catalog: |
BB029096 |
Product Name: |
5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione |
CAS: |
55579-74-3 |
Synonyms: |
5-(2,6-dichlorophenyl)cyclohexane-1,3-dione; 5-(2,6-dichlorophenyl)cyclohexane-1,3-dione |
IUPAC Name: | 5-(2,6-dichlorophenyl)cyclohexane-1,3-dione |
Description: | 5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione (CAS# 55579-74-3) is a useful research chemical compound. |
Molecular Weight: | 257.11 |
Molecular Formula: | C12H10Cl2O2 |
Canonical SMILES: | C1C(CC(=O)CC1=O)C2=C(C=CC=C2Cl)Cl |
InChI: | InChI=1S/C12H10Cl2O2/c13-10-2-1-3-11(14)12(10)7-4-8(15)6-9(16)5-7/h1-3,7H,4-6H2 |
InChI Key: | XFSFQUOJDRNZIT-UHFFFAOYSA-N |
MDL: | MFCD00104793 |
LogP: | 3.39910 |
Publication Number | Title | Priority Date |
US-2007112015-A1 | Substituted dihydropyridines and methods of use | 20051028 |
WO-2007051062-A2 | Substituted dihydropyridines and methods of use | 20051028 |
CA-2390921-A1 | Process for the production of optically active cyclic enaminone derivative | 19991110 |
EP-1229019-A1 | Process for the production of optically active cyclic enaminone derivatives | 19991110 |
JP-2001199906-A | Method for producing optically active cyclic enaminone derivatives | 19991110 |
PMID | Publication Date | Title | Journal |
22189273 | 20120115 | Cyclohexane 1,3-diones and their inhibition of mutant SOD1-dependent protein aggregation and toxicity in PC12 cells | Bioorganic & medicinal chemistry |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.0057849 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.0057849 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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