5-(2-Phenoxyphenyl)-2H-tetrazole - CAS 220429-69-6
Catalog: |
BB017316 |
Product Name: |
5-(2-Phenoxyphenyl)-2H-tetrazole |
CAS: |
220429-69-6 |
Synonyms: |
5-(2-phenoxyphenyl)-2H-tetrazole; 5-(2-phenoxyphenyl)-2H-tetrazole |
IUPAC Name: | 5-(2-phenoxyphenyl)-2H-tetrazole |
Description: | 5-(2-Phenoxyphenyl)-2H-tetrazole (CAS# 220429-69-6) is a useful research chemical. |
Molecular Weight: | 238.24 |
Molecular Formula: | C13H10N4O |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=CC=C2C3=NNN=N3 |
InChI: | InChI=1S/C13H10N4O/c1-2-6-10(7-3-1)18-12-9-5-4-8-11(12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17) |
InChI Key: | GHCLLWCBVCNWTJ-UHFFFAOYSA-N |
LogP: | 2.65900 |
Publication Number | Title | Priority Date |
WO-9906380-A1 | Tetrazole compounds and pest control agent | 19970801 |
EP-0628559-A1 | Pyrimidine compounds and their use as pharmaceuticals | 19930610 |
EP-0628559-B1 | Pyrimidine compounds and their use as pharmaceuticals | 19930610 |
US-5571813-A | Fused pyrimidine compounds and their use as pharmaceuticals | 19930610 |
US-5602136-A | Pyrimidine compounds and their use as pharmaceuticals | 19930610 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.08546096 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.08546096 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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