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Home > Pyridines > 1649454-78-3
1649454-78-3 | 2-Pyridinecarbonitrile, 5-(ethylsulfonyl)-
CAS No: 1649454-78-3 Catalog No: AG001V6G MDL No:MFCD29049841
Product Description
Catalog Number:
AG001V6G
Chemical Name:
2-Pyridinecarbonitrile, 5-(ethylsulfonyl)-
CAS Number:
1649454-78-3
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD29049841
IUPAC Name:
5-ethylsulfonylpyridine-2-carbonitrile
InChI:
InChI=1S/C8H8N2O2S/c1-2-13(11,12)8-4-3-7(5-9)10-6-8/h3-4,6H,2H2,1H3
InChI Key:
IFEKGMOFZSQNNI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)S(=O)(=O)CC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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