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120317-69-3 | 1,4-Dimethyl-1,2,4-triazolium Iodide
CAS No: 120317-69-3 Catalog No: AG003DOQ MDL No:MFCD00666522
Product Description
Catalog Number:
AG003DOQ
Chemical Name:
1,4-Dimethyl-1,2,4-triazolium Iodide
CAS Number:
120317-69-3
Molecular Formula:
C4H8IN3
Molecular Weight:
225.0309
MDL Number:
MFCD00666522
IUPAC Name:
1,4-dimethyl-1,2,4-triazol-4-ium;iodide
InChI:
InChI=1S/C4H8N3.HI/c1-6-3-5-7(2)4-6;/h3-4H,1-2H3;1H/q+1;/p-1
InChI Key:
IMFBMMNQDMTHGG-UHFFFAOYSA-M
SMILES:
Cn1cn[n+](c1)C.[I-]
Properties
Complexity:
64
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.976g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.033g/mol
Monoisotopic Mass:
224.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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