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DE 2

CAT: 0013-GTR19194797Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194797Size:25 mg
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Description
DE 2
CAS Number
17409-50-6
Smiles
[Cl-].N#[N+]C1=CC=C (NCC) C (=C1) C.Cl[Zn]Cl
Molecular Formula
C9H12Cl3N3Zn
Molecular Weight
333.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Ethylamino)-3-methylbenzenediazonium ZINC chloride(1:1:3)

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CAS Number17409-50-6
PubChem CID87098
IUPAC Namezinc;4-(ethylamino)-3-methylbenzenediazonium;trichloride
Molecular FormulaC9H12Cl3N3Zn
Molecular Weight333.9
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity181
SMILES
CCNC1=C(C=C(C=C1)[N+]#N)C.[Cl-].[Cl-].[Cl-].[Zn+2]
InChI
InChI=1S/C9H12N3.3ClH.Zn/c1-3-11-9-5-4-8(12-10)6-7(9)2;;;;/h4-6,11H,3H2,1-2H3;3*1H;/q+1;;;;+2/p-3
InChIKey
IMGBESPVIQOFEA-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of 4-(Ethylamino)-3-methylbenzenediazonium ZINC chloride(1:1:3)
CAS: 17409-50-6
CID: 87098
Formula: C9H12Cl3N3Zn
MW: 333.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass330.938822
Monoisotopic Mass330.938822
Topological Polar Surface Area40.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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