3-[3-(Trifluoromethyl)phenyl]-1,2,5-oxadiazole - CAS 32090-70-3
Catalog: |
BB021162 |
Product Name: |
3-[3-(Trifluoromethyl)phenyl]-1,2,5-oxadiazole |
CAS: |
32090-70-3 |
Synonyms: |
3-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole; 3-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole |
IUPAC Name: | 3-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole |
Description: | 3-[3-(Trifluoromethyl)phenyl]-1,2,5-oxadiazole (CAS# 32090-70-3 ) is a useful research chemical. |
Molecular Weight: | 214.14 |
Molecular Formula: | C9H5F3N2O |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=NON=C2 |
InChI: | InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-2-6(4-7)8-5-13-15-14-8/h1-5H |
InChI Key: | PMESICMKRYQQLO-UHFFFAOYSA-N |
LogP: | 2.75540 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.03539727 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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