5-(4-Fluoro-3-methoxyphenyl)-2H-tetrazole - CAS 1092657-05-0
Catalog: |
BB002424 |
Product Name: |
5-(4-Fluoro-3-methoxyphenyl)-2H-tetrazole |
CAS: |
1092657-05-0 |
Synonyms: |
5-(4-fluoro-3-methoxyphenyl)-2H-tetrazole; 5-(4-fluoro-3-methoxyphenyl)-2H-tetrazole |
IUPAC Name: | 5-(4-fluoro-3-methoxyphenyl)-2H-tetrazole |
Description: | 5-(4-Fluoro-3-methoxyphenyl)-2H-tetrazole (CAS# 1092657-05-0 ) is a useful research chemical. |
Molecular Weight: | 194.17 |
Molecular Formula: | C8H7FN4O |
Canonical SMILES: | COC1=C(C=CC(=C1)C2=NNN=N2)F |
InChI: | InChI=1S/C8H7FN4O/c1-14-7-4-5(2-3-6(7)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13) |
InChI Key: | DJPGZKBHWLPRKQ-UHFFFAOYSA-N |
LogP: | 1.01440 |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.06038902 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.06038902 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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