2-[3,5-Bis(trifluoromethyl)phenyl]pyrrole - CAS 795274-69-0
Catalog: |
BB036369 |
Product Name: |
2-[3,5-Bis(trifluoromethyl)phenyl]pyrrole |
CAS: |
795274-69-0 |
Synonyms: |
2-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole; 2-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole |
IUPAC Name: | 2-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole |
Description: | 2-[3,5-Bis(trifluoromethyl)phenyl]pyrrole (CAS# 795274-69-0 ) is a useful research chemical. |
Molecular Weight: | 279.18 |
Molecular Formula: | C12H7F6N |
Canonical SMILES: | C1=CNC(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C12H7F6N/c13-11(14,15)8-4-7(10-2-1-3-19-10)5-9(6-8)12(16,17)18/h1-6,19H |
InChI Key: | UDNQTIAMOLTENJ-UHFFFAOYSA-N |
LogP: | 4.71930 |
Publication Number | Title | Priority Date |
AU-2012290467-A1 | Nuclear transport modulators and uses thereof | 20110729 |
AU-2018204256-A1 | Nuclear transport modulators and uses thereof | 20110729 |
EP-2736883-A1 | Nuclear transport modulators and uses thereof | 20110729 |
EP-2736883-B1 | Nuclear transport modulators and uses thereof | 20110729 |
JP-2014521653-A | Nuclear transport regulators and uses thereof | 20110729 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.0482682 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.0482682 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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