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191531-11-0 | Propanedinitrile, 2-(2-bromo-10-iododecyl)-
CAS No: 191531-11-0 Catalog No: AG002FAV MDL No:
Product Description
Catalog Number:
AG002FAV
Chemical Name:
Propanedinitrile, 2-(2-bromo-10-iododecyl)-
CAS Number:
191531-11-0
Molecular Formula:
C13H20BrIN2
Molecular Weight:
411.1198
IUPAC Name:
2-(2-bromo-10-iododecyl)propanedinitrile
InChI:
InChI=1S/C13H20BrIN2/c14-13(9-12(10-16)11-17)7-5-3-1-2-4-6-8-15/h12-13H,1-9H2
InChI Key:
OPYQKIBOCZQLHG-UHFFFAOYSA-N
SMILES:
ICCCCCCCCC(CC(C#N)C#N)Br
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.985g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.125g/mol
Monoisotopic Mass:
409.985g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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