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160194-27-4 | Benzenamine, 2,6-diiodo-4-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 160194-27-4 Catalog No: AG001RR9 MDL No:
Product Description
Catalog Number:
AG001RR9
Chemical Name:
Benzenamine, 2,6-diiodo-4-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
160194-27-4
Molecular Formula:
C9H8I2N4
Molecular Weight:
425.9956
IUPAC Name:
2,6-diiodo-4-(1,2,4-triazol-1-ylmethyl)aniline
InChI:
InChI=1S/C9H8I2N4/c10-7-1-6(2-8(11)9(7)12)3-15-5-13-4-14-15/h1-2,4-5H,3,12H2
InChI Key:
UFUCYNFQRJSETQ-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1N)I)Cn1ncnc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.884g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426g/mol
Monoisotopic Mass:
425.884g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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