5-[2-(2,4-Dichlorophenoxy)phenyl]-2H-tetrazole - CAS 671186-08-6
Catalog: |
BB033193 |
Product Name: |
5-[2-(2,4-Dichlorophenoxy)phenyl]-2H-tetrazole |
CAS: |
671186-08-6 |
Synonyms: |
5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole; 5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole |
IUPAC Name: | 5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole |
Description: | 5-[2-(2,4-Dichlorophenoxy)phenyl]-2H-tetrazole (CAS# 671186-08-6 ) is a useful research chemical. |
Molecular Weight: | 307.13 |
Molecular Formula: | C13H8Cl2N4O |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NNN=N2)OC3=C(C=C(C=C3)Cl)Cl |
InChI: | InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19) |
InChI Key: | NUYWOTGHOXXCLV-UHFFFAOYSA-N |
LogP: | 3.96580 |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.0075163 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.0075163 |
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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