2-(1H-Tetrazol-5-yl)benzoic Acid - CAS 13947-58-5
Catalog: |
BB008950 |
Product Name: |
2-(1H-Tetrazol-5-yl)benzoic Acid |
CAS: |
13947-58-5 |
Synonyms: |
2-(2H-tetrazol-5-yl)benzoic acid; 2-(2H-tetrazol-5-yl)benzoic acid |
IUPAC Name: | 2-(2H-tetrazol-5-yl)benzoic acid |
Description: | 2-(1H-Tetrazol-5-yl)benzoic Acid (CAS# 13947-58-5) is a reactant used in the syntheses such as hydrothermal reaction with zinc nitrate in aqueous solution to make coordination polymer Poly[aqua[μ3-5-(2-carboxylatophenyl)-1H-tetrazolato]zinc(II)] ( [Zn(C8H4N4O2)(H2O)]n). |
Molecular Weight: | 190.16 |
Molecular Formula: | C8H6N4O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NNN=N2)C(=O)O |
InChI: | InChI=1S/C8H6N4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12) |
InChI Key: | QRKJBXMXOAQYEC-UHFFFAOYSA-N |
Boiling Point: | 473.6 °C at 760 mmHg |
Density: | 1.518 g/cm3 |
MDL: | MFCD03308576 |
LogP: | 0.56490 |
Publication Number | Title | Priority Date |
KR-20180039709-A | Use of a chemical mechanical polishing (CMP) composition for polishing a cobalt-containing substrate | 20150812 |
EP-3006474-A1 | Porous solid with outer surface grafted with a polymer | 20141008 |
EP-3006474-B1 | Porous solid with outer surface grafted with a polymer | 20141008 |
US-10272157-B2 | Porous solid with outer surface grafted with a polymer | 20141008 |
US-2016101192-A1 | Porous solid with outer surface grafted with a polymer | 20141008 |
PMID | Publication Date | Title | Journal |
19301919 | 20090420 | Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies | Inorganic chemistry |
21203002 | 20080709 | Poly[diaqua-1κO-bis[μ(3)-2-(1H-tetra-zol-5-yl)benzoato(2-)]dicadmium(II)] | Acta crystallographica. Section E, Structure reports online |
21202493 | 20080514 | Poly[aqua-[μ(3)-5-(2-carboxyl-atophen-yl)-1H-tetra-zolato]zinc(II)] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.04907545 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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