5-(3,5-Dichlorophenyl)-2H-tetrazole - CAS 92712-49-7
Catalog: |
BB040602 |
Product Name: |
5-(3,5-Dichlorophenyl)-2H-tetrazole |
CAS: |
92712-49-7 |
Synonyms: |
5-(3,5-dichlorophenyl)-2H-tetrazole; 5-(3,5-dichlorophenyl)-2H-tetrazole |
IUPAC Name: | 5-(3,5-dichlorophenyl)-2H-tetrazole |
Description: | 5-(3,5-Dichlorophenyl)-2H-tetrazole (CAS# 92712-49-7 ) is a useful research chemical. |
Molecular Weight: | 215.04 |
Molecular Formula: | C7H4Cl2N4 |
Canonical SMILES: | C1=C(C=C(C=C1Cl)Cl)C2=NNN=N2 |
InChI: | InChI=1S/C7H4Cl2N4/c8-5-1-4(2-6(9)3-5)7-10-12-13-11-7/h1-3H,(H,10,11,12,13) |
InChI Key: | VCYMSAGOTYBIHM-UHFFFAOYSA-N |
Boiling Point: | 410.2 °C at 760 mmHg |
Density: | 1.574 g/cm3 |
MDL: | MFCD02093955 |
LogP: | 2.17350 |
Publication Number | Title | Priority Date |
EP-2461811-A1 | Macrocyclic serine protease inhibitors useful against viral infections, particularly hcv | 20090805 |
US-2011129443-A1 | Macrocyclic serine protease inhibitors | 20090805 |
WO-2011017389-A1 | Macrocyclic serine protease inhibitors useful against viral infections, particularly hcv | 20090805 |
EP-2417134-A1 | Macrocyclic serine protease inhibitors | 20090408 |
US-2010260710-A1 | Macrocyclic serine protease inhibitors | 20090408 |
PMID | Publication Date | Title | Journal |
22162199 | 20120102 | Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors | ChemMedChem |
Complexity: | 170 |
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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