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266337-47-7 | 4-Pyridinecarbonitrile, 2-chloro-6-(2-pyridinylthio)-
CAS No: 266337-47-7 Catalog No: AG002TW6 MDL No:
Product Description
Catalog Number:
AG002TW6
Chemical Name:
4-Pyridinecarbonitrile, 2-chloro-6-(2-pyridinylthio)-
CAS Number:
266337-47-7
Molecular Formula:
C11H6ClN3S
Molecular Weight:
247.7034
IUPAC Name:
2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbonitrile
InChI:
InChI=1S/C11H6ClN3S/c12-9-5-8(7-13)6-11(15-9)16-10-3-1-2-4-14-10/h1-6H
InChI Key:
PMABHPFSDKTYNT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(nc(c1)Cl)Sc1ccccn1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.7g/mol
Monoisotopic Mass:
246.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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