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827616-52-4 | 3-Iodopicolinonitrile
CAS No: 827616-52-4 Catalog No: AG003JLT MDL No:MFCD09037451
Product Description
Catalog Number:
AG003JLT
Chemical Name:
3-Iodopicolinonitrile
CAS Number:
827616-52-4
Molecular Formula:
C6H3IN2
Molecular Weight:
230.0059
MDL Number:
MFCD09037451
IUPAC Name:
3-iodopyridine-2-carbonitrile
InChI:
InChI=1S/C6H3IN2/c7-5-2-1-3-9-6(5)4-8/h1-3H
InChI Key:
MZZGCCSFZCRVAF-UHFFFAOYSA-N
SMILES:
N#Cc1ncccc1I
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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