5-[2-(Trifluoromethoxy)phenyl]-2H-tetrazole - CAS 1261268-92-1
Catalog: |
BB006461 |
Product Name: |
5-[2-(Trifluoromethoxy)phenyl]-2H-tetrazole |
CAS: |
1261268-92-1 |
Synonyms: |
5-[2-(trifluoromethoxy)phenyl]-2H-tetrazole; 5-[2-(trifluoromethoxy)phenyl]-2H-tetrazole |
IUPAC Name: | 5-[2-(trifluoromethoxy)phenyl]-2H-tetrazole |
Description: | 5-[2-(Trifluoromethoxy)phenyl]-2H-tetrazole (CAS# 1261268-92-1 ) is a useful research chemical. |
Molecular Weight: | 230.15 |
Molecular Formula: | C8H5F3N4O |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NNN=N2)OC(F)(F)F |
InChI: | InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-4-2-1-3-5(6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15) |
InChI Key: | DDHPQTFUZBZZBF-UHFFFAOYSA-N |
LogP: | 1.76530 |
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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