5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole - CAS 92712-48-6
Catalog: |
BB040601 |
Product Name: |
5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole |
CAS: |
92712-48-6 |
Synonyms: |
5-[3-(trifluoromethyl)phenyl]-2H-tetrazole; 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole |
IUPAC Name: | 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole |
Description: | 5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole (CAS# 92712-48-6) is a useful research chemical. |
Molecular Weight: | 214.15 |
Molecular Formula: | C8H5F3N4 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=NNN=N2 |
InChI: | InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15) |
InChI Key: | KWSLGOVYXMQPPX-UHFFFAOYSA-N |
Boiling Point: | 325.2 ℃ at 760 mmHg |
Density: | 1.464 g/cm3 |
Solubility: | 9.5 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00068098 |
LogP: | 1.88550 |
Publication Number | Title | Priority Date |
US-2016016916-A1 | Exo Olefin-Containing Nuclear Transport Modulators and Uses Thereof | 20130315 |
WO-2014152263-A1 | Exo olefin-containing nuclear transport modulators and uses thereof | 20130315 |
EP-2726515-A1 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
EP-2726515-B1 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
FR-2977253-A1 | Alcoxylic organostannic reagent supported, prepared and used for the synthesis of heterogeneous phase tetrazoles | 20110630 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.04663066 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.04663066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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