1-[2-(Trifluoromethyl)phenyl]cyclopentanecarbonitrile - CAS 136619-38-0
Catalog: |
BB008385 |
Product Name: |
1-[2-(Trifluoromethyl)phenyl]cyclopentanecarbonitrile |
CAS: |
136619-38-0 |
Synonyms: |
1-[2-(trifluoromethyl)phenyl]-1-cyclopentanecarbonitrile; 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile |
IUPAC Name: | 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile |
Description: | 1-[2-(Trifluoromethyl)phenyl]cyclopentanecarbonitrile (CAS# 136619-38-0 ) is a useful research chemical. |
Molecular Weight: | 239.24 |
Molecular Formula: | C13H12F3N |
Canonical SMILES: | C1CCC(C1)(C#N)C2=CC=CC=C2C(F)(F)F |
InChI: | InChI=1S/C13H12F3N/c14-13(15,16)11-6-2-1-5-10(11)12(9-17)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2 |
InChI Key: | SVJJFRNADDBCFR-UHFFFAOYSA-N |
LogP: | 4.04078 |
Publication Number | Title | Priority Date |
US-2012022255-A1 | Substituted 3-hydroxy-4-pyridone derivative | 20090326 |
US-8835461-B2 | Substituted 3-hydroxy-4-pyridone derivative | 20090326 |
US-5015644-A | Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds | 19870602 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.09218387 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.09218387 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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