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87862-30-4 | Guanidine, [2-(3-iodophenyl)ethyl]-, sulfate (2:1)
CAS No: 87862-30-4 Catalog No: AG004EEF MDL No:
Product Description
Catalog Number:
AG004EEF
Chemical Name:
Guanidine, [2-(3-iodophenyl)ethyl]-, sulfate (2:1)
CAS Number:
87862-30-4
Molecular Formula:
C18H26I2N6O4S
Molecular Weight:
676.3108
IUPAC Name:
2-[2-(3-iodophenyl)ethyl]guanidine;sulfuric acid
InChI:
InChI=1S/2C9H12IN3.H2O4S/c2*10-8-3-1-2-7(6-8)4-5-13-9(11)12;1-5(2,3)4/h2*1-3,6H,4-5H2,(H4,11,12,13);(H2,1,2,3,4)
InChI Key:
OHKQMRKCGMRQEQ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)NCCc1cccc(c1)I.NC(=N)NCCc1cccc(c1)I
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
675.983g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
676.313g/mol
Monoisotopic Mass:
675.983g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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