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1346818-62-9 | 5-iodo-1,4-diMethyl-1H-1,2,3-triazole
CAS No: 1346818-62-9 Catalog No: AG009YQT MDL No:MFCD28962625
Product Description
Catalog Number:
AG009YQT
Chemical Name:
5-iodo-1,4-diMethyl-1H-1,2,3-triazole
CAS Number:
1346818-62-9
Molecular Formula:
C4H6IN3
Molecular Weight:
223.0150
MDL Number:
MFCD28962625
IUPAC Name:
5-iodo-1,4-dimethyltriazole
InChI:
InChI=1S/C4H6IN3/c1-3-4(5)8(2)7-6-3/h1-2H3
InChI Key:
BFFCUDCDYJFFAJ-UHFFFAOYSA-N
SMILES:
Cc1nnn(c1I)C
Properties
Complexity:
87.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.961g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.017g/mol
Monoisotopic Mass:
222.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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