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Home > Fluorides > 885276-30-2
885276-30-2 | Acetonitrile,fluoroiodo- (9CI)
CAS No: 885276-30-2 Catalog No: AG0047ED MDL No:MFCD07784279
Product Description
Catalog Number:
AG0047ED
Chemical Name:
Acetonitrile,fluoroiodo- (9CI)
CAS Number:
885276-30-2
Molecular Formula:
C2HFIN
Molecular Weight:
184.9389
MDL Number:
MFCD07784279
IUPAC Name:
2-fluoro-2-iodoacetonitrile
InChI:
InChI=1S/C2HFIN/c3-2(4)1-5/h2H
InChI Key:
PLTKTEWMOUTMMM-UHFFFAOYSA-N
SMILES:
FC(C#N)I
Properties
Complexity:
63.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.914g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.94g/mol
Monoisotopic Mass:
184.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| The complete iodine and nitrogen nuclear electric quadrupole coupling tensors for fluoroiodoacetonitrile determined by chirped pulse Fourier transform microwave spectroscopy. | The Journal of chemical physics 20100114 |
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