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160203-52-1

160203-52-1 | 1H-Imidazolium-2,4,5-d3, 1-(ethyl-d5)-3-(methyl-d3)-, chloride (9CI)

CAS No: 160203-52-1 Catalog No: AG001RQZ MDL No:

Product Description

Catalog Number:
AG001RQZ
Chemical Name:
1H-Imidazolium-2,4,5-d3, 1-(ethyl-d5)-3-(methyl-d3)-, chloride (9CI)
CAS Number:
160203-52-1
Molecular Formula:
C6H2ClD11N2
Molecular Weight:
159.7016
IUPAC Name:
2,4,5-trideuterio-1-(1,1,2,2,2-pentadeuterioethyl)-3-(trideuteriomethyl)imidazol-3-ium;chloride
InChI:
InChI=1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1/i1D3,2D3,3D2,4D,5D,6D;
InChI Key:
BMQZYMYBQZGEEY-WQTMNAJCSA-M
SMILES:
C1([2H])N(C(=C([NH+]1C(C([2H])([2H])[2H])([2H])[2H])[2H])[2H])C([2H])([2H])[2H].[Cl-]

Properties

Complexity:
72.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.13g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
11  
Molecular Weight:
157.685g/mol
Monoisotopic Mass:
157.13g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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