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823180-30-9 | Heptanenitrile, 7,7-diiodo-
CAS No: 823180-30-9 Catalog No: AG004ZJX MDL No:
Product Description
Catalog Number:
AG004ZJX
Chemical Name:
Heptanenitrile, 7,7-diiodo-
CAS Number:
823180-30-9
Molecular Formula:
C7H11I2N
Molecular Weight:
362.9779
IUPAC Name:
7,7-diiodoheptanenitrile
InChI:
InChI=1S/C7H11I2N/c8-7(9)5-3-1-2-4-6-10/h7H,1-5H2
InChI Key:
VLHQUJMSNVEWJU-UHFFFAOYSA-N
SMILES:
N#CCCCCCC(I)I
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.898g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.981g/mol
Monoisotopic Mass:
362.898g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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