1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarbonitrile - CAS 173859-39-7
Catalog: |
BB012965 |
Product Name: |
1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarbonitrile |
CAS: |
173859-39-7 |
Synonyms: |
1-[4-(trifluoromethoxy)phenyl]-1-cyclopropanecarbonitrile; 1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonitrile |
IUPAC Name: | 1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonitrile |
Description: | 1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarbonitrile (CAS# 173859-39-7 ) is a useful research chemical. |
Molecular Weight: | 227.18 |
Molecular Formula: | C11H8F3NO |
Canonical SMILES: | C1CC1(C#N)C2=CC=C(C=C2)OC(F)(F)F |
InChI: | InChI=1S/C11H8F3NO/c12-11(13,14)16-9-3-1-8(2-4-9)10(7-15)5-6-10/h1-4H,5-6H2 |
InChI Key: | FHRNEMBCAKCEAT-UHFFFAOYSA-N |
Boiling Point: | 273.3 °C at 760 mmHg |
LogP: | 3.14038 |
Publication Number | Title | Priority Date |
WO-2021130492-A1 | Carboxy derivatives with antiinflammatory properties | 20191223 |
EP-3811945-A1 | Compounds for treating and preventing growth hormone receptor-dependent conditions | 20191025 |
WO-2021078995-A1 | Selective polypeptide synthesis stalling assay and compound | 20191025 |
WO-2010091164-A1 | Inhibitors of glucosylceramide synthase | 20090206 |
AU-2008232683-A1 | Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition | 20070330 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.05579836 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.05579836 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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