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71314-96-0 | 8-(1,2-Diiodoethylthio)quinoline diiodide
CAS No: 71314-96-0 Catalog No: AG005JQH MDL No:
Product Description
Catalog Number:
AG005JQH
Chemical Name:
8-(1,2-Diiodoethylthio)quinoline diiodide
CAS Number:
71314-96-0
Molecular Formula:
C11H9I4NS--
Molecular Weight:
694.8787
IUPAC Name:
8-(1,2-diiodoethylsulfanyl)quinoline;molecular iodine
InChI:
InChI=1S/C11H9I2NS.I2/c12-7-10(13)15-9-5-1-3-8-4-2-6-14-11(8)9;1-2/h1-6,10H,7H2;
InChI Key:
KFLJWRSQAVLSDY-UHFFFAOYSA-N
SMILES:
ICC(Sc1cccc2c1nccc2)I.[I-].[I-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
694.663g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
694.878g/mol
Monoisotopic Mass:
694.663g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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