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73231-60-4 | 1H-1,2,4-Triazolium, 1-ethenyl-4-methyl-, iodide
CAS No: 73231-60-4 Catalog No: AG005FJ8 MDL No:
Product Description
Catalog Number:
AG005FJ8
Chemical Name:
1H-1,2,4-Triazolium, 1-ethenyl-4-methyl-, iodide
CAS Number:
73231-60-4
Molecular Formula:
C5H10IN3
Molecular Weight:
239.0575
IUPAC Name:
1-ethenyl-4-methyl-1,5-dihydro-1,2,4-triazol-1-ium;iodide
InChI:
InChI=1S/C5H9N3.HI/c1-3-8-5-7(2)4-6-8;/h3-4H,1,5H2,2H3;1H
InChI Key:
MNJHRUDJLLIASE-UHFFFAOYSA-N
SMILES:
CN1C[NH+](N=C1)C=C.[I-]
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.992g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.06g/mol
Monoisotopic Mass:
238.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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