5-(2-Chlorophenyl)cyclohexane-1,3-dione - CAS 55579-68-5
Catalog: |
BB029094 |
Product Name: |
5-(2-Chlorophenyl)cyclohexane-1,3-dione |
CAS: |
55579-68-5 |
Synonyms: |
5-(2-chlorophenyl)cyclohexane-1,3-dione; 5-(2-chlorophenyl)cyclohexane-1,3-dione |
IUPAC Name: | 5-(2-chlorophenyl)cyclohexane-1,3-dione |
Description: | 5-(2-Chlorophenyl)cyclohexane-1,3-dione (CAS# 55579-68-5) is a useful research chemical. |
Molecular Weight: | 222.67 |
Molecular Formula: | C12H11ClO2 |
Canonical SMILES: | C1C(CC(=O)CC1=O)C2=CC=CC=C2Cl |
InChI: | InChI=1S/C12H11ClO2/c13-12-4-2-1-3-11(12)8-5-9(14)7-10(15)6-8/h1-4,8H,5-7H2 |
InChI Key: | BPFBAVBCEHCMFU-UHFFFAOYSA-N |
Boiling Point: | 367.6 °C at 760 mmHg |
Density: | 1.268 g/cm3 |
MDL: | MFCD02067868 |
LogP: | 2.74570 |
Publication Number | Title | Priority Date |
WO-2015101928-A1 | Fused thiophene and thiazole derivatives as ror gamma modulators | 20131231 |
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 |
WO-0134557-A1 | Process for the production of 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: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0447573 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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