5-[3-(Trifluoromethoxy)phenyl]tetrazole - CAS 216144-09-1
Catalog: |
BB017011 |
Product Name: |
5-[3-(Trifluoromethoxy)phenyl]tetrazole |
CAS: |
216144-09-1 |
Synonyms: |
5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole; 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole |
IUPAC Name: | 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole |
Description: | 5-[3-(Trifluoromethoxy)phenyl]tetrazole (CAS# 216144-09-1) is a useful research chemical. |
Molecular Weight: | 230.15 |
Molecular Formula: | C8H5F3N4O |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)(F)F)C2=NNN=N2 |
InChI: | InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15) |
InChI Key: | YKYWVXHVSVSQOX-UHFFFAOYSA-N |
Boiling Point: | 321.6 °C at 760 mmHg |
Density: | 1.503 g/cm3 |
MDL: | MFCD01075683 |
LogP: | 1.76530 |
Publication Number | Title | Priority Date |
AU-2004220444-A1 | Insecticidal phthalamide derivatives | 20030314 |
AU-2004220444-B2 | Insecticidal phthalamide derivatives | 20030314 |
EP-1606271-A1 | Insecticidal phthalamide derivatives | 20030314 |
JP-2004277333-A | Insecticidal phthalamide derivatives | 20030314 |
JP-2006520337-A | Insecticidal phthalamide derivatives | 20030314 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.04154528 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.04154528 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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