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913836-19-8 | 4-Iodopicolinonitrile
CAS No: 913836-19-8 Catalog No: AG006BHJ MDL No:MFCD08689497
Product Description
Catalog Number:
AG006BHJ
Chemical Name:
4-Iodopicolinonitrile
CAS Number:
913836-19-8
Molecular Formula:
C6H3IN2
Molecular Weight:
230.0059
MDL Number:
MFCD08689497
IUPAC Name:
4-iodopyridine-2-carbonitrile
InChI:
InChI=1S/C6H3IN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChI Key:
BGDBXTAJJAFSGO-UHFFFAOYSA-N
SMILES:
Ic1cc(ncc1)C#N
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.934g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.008g/mol
Monoisotopic Mass:
229.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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