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1196152-43-8 | 1H-1,2,3-Triazole, 5-iodo-1-methyl-
CAS No: 1196152-43-8 Catalog No: AG000PBF MDL No:MFCD13190026
Product Description
Catalog Number:
AG000PBF
Chemical Name:
1H-1,2,3-Triazole, 5-iodo-1-methyl-
CAS Number:
1196152-43-8
Molecular Formula:
C3H4IN3
Molecular Weight:
208.9884
MDL Number:
MFCD13190026
IUPAC Name:
5-iodo-1-methyltriazole
InChI:
InChI=1S/C3H4IN3/c1-7-3(4)2-5-6-7/h2H,1H3
InChI Key:
RRRKYKMVUDVTHC-UHFFFAOYSA-N
SMILES:
Cn1nncc1I
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:
0.4
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