5-[3-(1-Naphthyloxy)phenyl]-2H-tetrazole - CAS 1314406-47-7
Catalog: |
BB007333 |
Product Name: |
5-[3-(1-Naphthyloxy)phenyl]-2H-tetrazole |
CAS: |
1314406-47-7 |
Synonyms: |
5-[3-(1-naphthalenyloxy)phenyl]-2H-tetrazole; 5-(3-naphthalen-1-yloxyphenyl)-2H-tetrazole |
IUPAC Name: | 5-(3-naphthalen-1-yloxyphenyl)-2H-tetrazole |
Description: | 5-[3-(1-Naphthyloxy)phenyl]-2H-tetrazole (CAS# 1314406-47-7 ) is a useful research chemical. |
Molecular Weight: | 288.30 |
Molecular Formula: | C17H12N4O |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=C2OC3=CC=CC(=C3)C4=NNN=N4 |
InChI: | InChI=1S/C17H12N4O/c1-2-9-15-12(5-1)6-4-10-16(15)22-14-8-3-7-13(11-14)17-18-20-21-19-17/h1-11H,(H,18,19,20,21) |
InChI Key: | NSCYSEFDJMLCEB-UHFFFAOYSA-N |
LogP: | 3.81220 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.10111102 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.10111102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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