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Tecnazene

CAT: 0013-GTR19202259-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202259-01Size:100 mg
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Description
Tecnazene
CAS Number
117-18-0
Field of Research
Infectious Disease & Virology
Smiles
[O-][N+] (=O) c1c (Cl) c (Cl) cc (Cl) c1Cl
Molecular Formula
C6HCl4NO2
Molecular Weight
260.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2,4,5-Tetrachloro-3-nitrobenzene

Tecnazene is a C-nitro compound that is nitrobenzene in which the four hydrogens located ortho- and para- to the nitro group have been replaced by chlorines. A fungicide used to control dry rot, it is no longer approved for use within the European Union. It has a role as an antifungal agrochemical. It is a tetrachlorobenzene, a C-nitro compound and an aromatic fungicide. It is functionally related to a 1,2,4,5-tetrachlorobenzene.

CAS Number117-18-0
PubChem CID8330
IUPAC Name1,2,4,5-tetrachloro-3-nitrobenzene
Molecular FormulaC6HCl4NO2
Molecular Weight260.9
XLogP3.9
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity195
SMILES
C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
InChIKey
XQTLDIFVVHJORV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4,5-Tetrachloro-3-nitrobenzene
CAS: 117-18-0
CID: 8330
Formula: C6HCl4NO2
MW: 260.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight260.9
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass260.873189
Monoisotopic Mass258.876139
Topological Polar Surface Area45.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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