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116341-79-8

116341-79-8 | Octane, 1,1,3-triiodo-

CAS No: 116341-79-8 Catalog No: AG000C8O MDL No:

Product Description

Catalog Number:
AG000C8O
Chemical Name:
Octane, 1,1,3-triiodo-
CAS Number:
116341-79-8
Molecular Formula:
C8H15I3
Molecular Weight:
491.9181
IUPAC Name:
1,1,3-triiodooctane
InChI:
InChI=1S/C8H15I3/c1-2-3-4-5-7(9)6-8(10)11/h7-8H,2-6H2,1H3
InChI Key:
MIUWTLNRFCCCIH-UHFFFAOYSA-N
SMILES:
CCCCCC(CC(I)I)I

Properties

Complexity:
83.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.831g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.921g/mol
Monoisotopic Mass:
491.831g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  

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