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55847-42-2 | 5-iodo-1-methyl-1H-1,2,4-triazole
CAS No: 55847-42-2 Catalog No: AG01BGTZ MDL No:MFCD22628098
Product Description
Catalog Number:
AG01BGTZ
Chemical Name:
5-iodo-1-methyl-1H-1,2,4-triazole
CAS Number:
55847-42-2
Molecular Formula:
C3H4IN3
Molecular Weight:
208.9884
MDL Number:
MFCD22628098
IUPAC Name:
5-iodo-1-methyl-1,2,4-triazole
InChI:
InChI=1S/C3H4IN3/c1-7-3(4)5-2-6-7/h2H,1H3
InChI Key:
MFFIAJUUPZCTKT-UHFFFAOYSA-N
SMILES:
Cn1ncnc1I
Properties
Complexity:
67.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.945g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.99g/mol
Monoisotopic Mass:
208.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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