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Thallium(III) Nitrate Trihydrate

CAT: 0572-TRC-T338880-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T338880-5GSize:5 g
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CAS Number
13453-38-8
Synonyms
Thallium nitrate (Tl(NO3)3) Trihydrate;
Hazard Statement
No Data Available
Smiles
[3H]I(O[N+](=O)[O-])(O[N+](=O)[O-])O[N+](=O)[O-]
Molecular Formula
TIN3O9.3[H2O]
Shipping Conditions
Room Temperature

Chemical Information

Thallic nitrate, trihydrate
CAS Number13453-38-8
PubChem CID3084145
IUPAC Namethallium(3+);trinitrate;hexahydrate
Molecular FormulaH12N3O15Tl
Molecular Weight498.49
Topological Polar Surface Area195
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity18
SMILES
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Tl+3]
InChI
InChI=1S/3NO3.6H2O.Tl/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3
InChIKey
TWTZVACKNJEUQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thallic nitrate, trihydrate
CAS: 13453-38-8
CID: 3084145
Formula: H12N3O15Tl
MW: 498.49
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight498.49
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count0
Exact Mass499.00127
Monoisotopic Mass499.00127
Topological Polar Surface Area195 Ų
Heavy Atom Count19
Formal Charge0
Complexity18.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count10
Compound Is CanonicalizedYes

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