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2,3-Bis(3-fluorophenyl)-5-phenyltetrazolium Chloride - >98.0%(HPLC), high purity , CAS No.240800-46-8
Basic Description
Specifications & Purity
≥98%(HPLC)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Tetrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltetrazole - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Azacycle - Organic chloride salt - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2,3-bis(3-fluorophenyl)-5-phenyltetrazol-2-ium;chloride
INCHI
InChI=1S/C19H13F2N4.ClH/c20-15-8-4-10-17(12-15)24-22-19(14-6-2-1-3-7-14)23-25(24)18-11-5-9-16(21)13-18;/h1-13H;1H/q+1;/p-1
InChIKey
ADEOAPBIWHHTEL-UHFFFAOYSA-M
Smiles
C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC(=CC=C3)F)C4=CC(=CC=C4)F.[Cl-]
Isomeric SMILES
C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC(=CC=C3)F)C4=CC(=CC=C4)F.[Cl-]
PubChem CID
2736029
Molecular Weight
370.79
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive
Molecular Weight
370.800 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
370.08 Da
Monoisotopic Mass
370.08 Da
Topological Polar Surface Area
34.600 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
402.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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