5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole - CAS 1261268-98-7
Catalog: |
BB006466 |
Product Name: |
5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole |
CAS: |
1261268-98-7 |
Synonyms: |
5-[4-fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole; 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole |
IUPAC Name: | 5-[4-fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole |
Description: | 5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole (CAS# 1261268-98-7 ) is a useful research chemical. |
Molecular Weight: | 232.14 |
Molecular Formula: | C8H4F4N4 |
Canonical SMILES: | C1=CC(=C(C=C1C2=NNN=N2)C(F)(F)F)F |
InChI: | InChI=1S/C8H4F4N4/c9-6-2-1-4(7-13-15-16-14-7)3-5(6)8(10,11)12/h1-3H,(H,13,14,15,16) |
InChI Key: | DJAVSIDVPRVJEA-UHFFFAOYSA-N |
LogP: | 2.02460 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.03720879 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.03720879 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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