1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile - CAS 214262-94-9
Catalog: |
BB016838 |
Product Name: |
1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile |
CAS: |
214262-94-9 |
Synonyms: |
1-(2-chloro-6-fluorophenyl)-1-cyclopentanecarbonitrile; 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrile |
Description: | 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile (CAS# 214262-94-9 ) is a useful research chemical. |
Molecular Weight: | 223.67 |
Molecular Formula: | C12H11ClFN |
Canonical SMILES: | C1CCC(C1)(C#N)C2=C(C=CC=C2Cl)F |
InChI: | InChI=1S/C12H11ClFN/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-7H2 |
InChI Key: | KIROJLODCPJLTM-UHFFFAOYSA-N |
Boiling Point: | 338.7 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
LogP: | 3.81448 |
Publication Number | Title | Priority Date |
EP-2094677-A1 | Thiadiazole derivatives for the treatment of neuro-degenerative diseases | 20061122 |
EP-2094677-B1 | Thiadiazole derivatives for the treatment of neuro-degenerative diseases | 20061122 |
ES-2359104-T3 | TIADIAZOL DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES. | 20061122 |
US-2010144709-A1 | Thiadiazole derivatives for the treatment of neuro-degenerative diseases | 20061122 |
US-7960556-B2 | Thiadiazole derivatives for the treatment of neuro-degenerative diseases | 20061122 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0564052 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0564052 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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