5-(2-Methoxyphenyl)-1H-tetrazole - CAS 51449-81-1
Catalog: |
BB027445 |
Product Name: |
5-(2-Methoxyphenyl)-1H-tetrazole |
CAS: |
51449-81-1 |
Synonyms: |
5-(2-methoxyphenyl)-2H-tetrazole; 5-(2-methoxyphenyl)-2H-tetrazole |
IUPAC Name: | 5-(2-methoxyphenyl)-2H-tetrazole |
Description: | 5-(2-Methoxyphenyl)-1H-tetrazole (CAS# 51449-81-1 ) is a useful research chemical. |
Molecular Weight: | 176.18 |
Molecular Formula: | C8H8N4O |
Canonical SMILES: | COC1=CC=CC=C1C2=NNN=N2 |
InChI: | InChI=1S/C8H8N4O/c1-13-7-5-3-2-4-6(7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
InChI Key: | ANGNJNYCUCJQJV-UHFFFAOYSA-N |
Boiling Point: | 378.2 °C at 760 mmHg |
Melting Point: | 154-156 °C |
Purity: | 95 % |
Density: | 1.288 g/cm3 |
MDL: | MFCD03093093 |
LogP: | 0.87530 |
Publication Number | Title | Priority Date |
CN-109503505-A | A kind of synthetic method of 5- substituted tetrazole class compound | 20190109 |
CN-109503505-B | Synthesis method of 5-substituted tetrazole compound | 20190109 |
EP-2009004-A1 | Novel piperazine compound, and use thereof as hcv polymerase inhibitor | 20060418 |
US-2008081818-A1 | New Piperazine Compound and Use Thereof as a HCV Polymerase Inhibitor | 20060418 |
US-2012107273-A1 | New piperazine compound and use thereof as a hcv polymerase inhibitor | 20060418 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.06981089 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.06981089 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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