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6727-75-9 | Pentanenitrile, 5-iodo-
CAS No: 6727-75-9 Catalog No: AG006IXU MDL No:
Product Description
Catalog Number:
AG006IXU
Chemical Name:
Pentanenitrile, 5-iodo-
CAS Number:
6727-75-9
Molecular Formula:
C5H8IN
Molecular Weight:
209.0282
IUPAC Name:
5-iodopentanenitrile
InChI:
InChI=1S/C5H8IN/c6-4-2-1-3-5-7/h1-4H2
InChI Key:
BUTKEUQCGYDXBR-UHFFFAOYSA-N
SMILES:
ICCCCC#N
Properties
Complexity:
71.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.97g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.03g/mol
Monoisotopic Mass:
208.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Omega-halonitriles: domino cyclizations to oxa- and carbocyclic nitriles. | The Journal of organic chemistry 20030516 |
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