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104024-32-0 | Propanenitrile, 2-iodo-
CAS No: 104024-32-0 Catalog No: AG00855K MDL No:
Product Description
Catalog Number:
AG00855K
Chemical Name:
Propanenitrile, 2-iodo-
CAS Number:
104024-32-0
Molecular Formula:
C3H4IN
Molecular Weight:
180.9750
IUPAC Name:
2-iodopropanenitrile
InChI:
InChI=1S/C3H4IN/c1-3(4)2-5/h3H,1H3
InChI Key:
MEKNBSXCEMCLHJ-UHFFFAOYSA-N
SMILES:
CC(C#N)I
Properties
Complexity:
60.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.939g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.976g/mol
Monoisotopic Mass:
180.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| A direct comparison of reactivity and mechanism in the gas phase and in solution. | Journal of the American Chemical Society 20100324 |
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