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87862-36-0 | Guanidine, (3-iodophenyl)-, sulfate (2:1)
CAS No: 87862-36-0 Catalog No: AG004EED MDL No:
Product Description
Catalog Number:
AG004EED
Chemical Name:
Guanidine, (3-iodophenyl)-, sulfate (2:1)
CAS Number:
87862-36-0
Molecular Formula:
C14H18I2N6O4S
Molecular Weight:
620.2045
IUPAC Name:
2-(3-iodophenyl)guanidine;sulfuric acid
InChI:
InChI=1S/2C7H8IN3.H2O4S/c2*8-5-2-1-3-6(4-5)11-7(9)10;1-5(2,3)4/h2*1-4H,(H4,9,10,11);(H2,1,2,3,4)
InChI Key:
KDYKCAZWYSNKNU-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)Nc1cccc(c1)I.NC(=N)Nc1cccc(c1)I
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
619.92g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
620.205g/mol
Monoisotopic Mass:
619.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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