5-(2,3-Dichlorophenyl)-2H-tetrazole - CAS 175205-12-6
Catalog: |
BB013096 |
Product Name: |
5-(2,3-Dichlorophenyl)-2H-tetrazole |
CAS: |
175205-12-6 |
Synonyms: |
5-(2,3-dichlorophenyl)-2H-tetrazole; 5-(2,3-dichlorophenyl)-2H-tetrazole |
IUPAC Name: | 5-(2,3-dichlorophenyl)-2H-tetrazole |
Description: | 5-(2,3-Dichlorophenyl)-2H-tetrazole (CAS# 175205-12-6) is a reactant used in the synthesis of 1-Benzyl-5-phenyltetrazole derivatives which are antagonists for the P2X7 receptor, which has an important role in inflammation and immunity, and is a significant therapeutic target in inflammatory diseases. |
Molecular Weight: | 215.04 |
Molecular Formula: | C7H4Cl2N4 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)Cl)C2=NNN=N2 |
InChI: | InChI=1S/C7H4Cl2N4/c8-5-3-1-2-4(6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13) |
InChI Key: | OICQEAMHYWSULT-UHFFFAOYSA-N |
Boiling Point: | 408.3 °C at 760 mmHg |
Density: | 1.574 g/cm3 |
MDL: | MFCD00068096 |
LogP: | 2.17350 |
Publication Number | Title | Priority Date |
CN-109689027-A | Triglycerides aural preparations and application thereof | 20160629 |
EP-2247316-A2 | Imaging the central nervous system | 20080229 |
EP-2247316-B1 | Imaging the central nervous system | 20080229 |
JP-2011513277-A | Central nervous system imaging | 20080229 |
US-2011027178-A1 | Imaging the central nervous system | 20080229 |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.9813015 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.9813015 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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