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87862-35-9 | Guanidine, [(3,5-diiodophenyl)methyl]-, sulfate (2:1)
CAS No: 87862-35-9 Catalog No: AG004G5Y MDL No:
Product Description
Catalog Number:
AG004G5Y
Chemical Name:
Guanidine, [(3,5-diiodophenyl)methyl]-, sulfate (2:1)
CAS Number:
87862-35-9
Molecular Formula:
C16H20I4N6O4S
Molecular Weight:
900.0507
IUPAC Name:
2-[(3,5-diiodophenyl)methyl]guanidine;sulfuric acid
InChI:
InChI=1S/2C8H9I2N3.H2O4S/c2*9-6-1-5(2-7(10)3-6)4-13-8(11)12;1-5(2,3)4/h2*1-3H,4H2,(H4,11,12,13);(H2,1,2,3,4)
InChI Key:
ZKIAYXKAGMUEKE-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)NCc1cc(I)cc(c1)I.NC(=N)NCc1cc(I)cc(c1)I
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
899.745g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
900.052g/mol
Monoisotopic Mass:
899.745g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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