5-(2-Hydroxyphenyl)-1H-tetrazole - CAS 51449-77-5
Catalog: |
BB027444 |
Product Name: |
5-(2-Hydroxyphenyl)-1H-tetrazole |
CAS: |
51449-77-5 |
Synonyms: |
2-(2H-tetrazol-5-yl)phenol; 2-(2H-tetrazol-5-yl)phenol |
IUPAC Name: | 2-(2H-tetrazol-5-yl)phenol |
Description: | 5-(2-Hydroxyphenyl)-1H-tetrazole (CAS# 51449-77-5) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C7H6N4O |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NNN=N2)O |
InChI: | InChI=1S/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11) |
InChI Key: | FPUQYVARGFDCGZ-UHFFFAOYSA-N |
Boiling Point: | 391.8 °C at 760 mmHg |
Density: | 1.458 g/cm3 |
Appearance: | Cream powder |
MDL: | MFCD09037787 |
LogP: | 0.57230 |
Publication Number | Title | Priority Date |
US-10188754-B2 | Compositions and methods for chemical exchange saturation transfer (CEST) based magnetic resonance imaging (MRI) | 20130516 |
US-2016082132-A1 | Compositions and methods for chemical exchange saturation transfer (cest) based magnetic resonance imaging (mri) | 20130516 |
WO-2014186737-A1 | Compositions and methods for chemical exchange saturation transfer (cest) based magnetic resonance imaging (mri) | 20130516 |
EP-2945950-B1 | Isomannide derivatives as inhibitors of soluble epoxide hydrolase | 20130117 |
JP-2011506313-A | Nonmetallocene olefin polymerization catalyst containing tetrazole group and olefin polymerization method using the same | 20071205 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.05416083 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.05416083 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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