5-(3-Phenoxyphenyl)-1H-tetrazole - CAS 374538-02-0
Catalog: |
BB023288 |
Product Name: |
5-(3-Phenoxyphenyl)-1H-tetrazole |
CAS: |
374538-02-0 |
Synonyms: |
5-(3-phenoxyphenyl)-2H-tetrazole; 5-(3-phenoxyphenyl)-2H-tetrazole |
IUPAC Name: | 5-(3-phenoxyphenyl)-2H-tetrazole |
Description: | 5-(3-Phenoxyphenyl)-1H-tetrazole (CAS# 374538-02-0 ) is a useful research chemical. |
Molecular Weight: | 238.24 |
Molecular Formula: | C13H10N4O |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NNN=N3 |
InChI: | InChI=1S/C13H10N4O/c1-2-6-11(7-3-1)18-12-8-4-5-10(9-12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17) |
InChI Key: | TYNITQBHBADQAR-UHFFFAOYSA-N |
Boiling Point: | 439.8 ℃ at 760 mmHg |
Density: | 1.299 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02093975 |
LogP: | 2.65900 |
Publication Number | Title | Priority Date |
EA-034436-B1 | HETEROaryL BUTANIC ACID DERIVATIVES AS LTA4H INHIBITORS | 20131220 |
EP-3083564-B1 | Heteroaryl butanoic acid derivatives as lta4h inhibitors | 20131220 |
ES-2690790-T3 | Derivatives of heterobutyl butanoic acid as inhibitors of LTA4H | 20131220 |
US-2017015637-A1 | Novel heteroaryl butanoic acid derivatives | 20131220 |
US-2018170887-A1 | Novel heteroaryl butanoic acid derivatives | 20131220 |
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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