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69527-40-8 | Propanedinitrile, [(5-iodo-2-furanyl)methylene]-
CAS No: 69527-40-8 Catalog No: AG006BJW MDL No:
Product Description
Catalog Number:
AG006BJW
Chemical Name:
Propanedinitrile, [(5-iodo-2-furanyl)methylene]-
CAS Number:
69527-40-8
Molecular Formula:
C8H3IN2O
Molecular Weight:
270.0267
IUPAC Name:
2-[(5-iodofuran-2-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C8H3IN2O/c9-8-2-1-7(12-8)3-6(4-10)5-11/h1-3H
InChI Key:
AQGJARUOVSMNDW-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(o1)I)C#N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.029g/mol
Monoisotopic Mass:
269.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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