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144361-58-0 | 2H-Pyran-3-carbonitrile, 6-(3-chlorophenyl)-4-(methylthio)-2-oxo-
CAS No: 144361-58-0 Catalog No: AG001JEH MDL No:
Product Description
Catalog Number:
AG001JEH
Chemical Name:
2H-Pyran-3-carbonitrile, 6-(3-chlorophenyl)-4-(methylthio)-2-oxo-
CAS Number:
144361-58-0
Molecular Formula:
C13H8ClNO2S
Molecular Weight:
277.7261
IUPAC Name:
6-(3-chlorophenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile
InChI:
InChI=1S/C13H8ClNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-3-2-4-9(14)5-8/h2-6H,1H3
InChI Key:
ZJAZMSZLJUECBI-UHFFFAOYSA-N
SMILES:
CSc1cc(oc(=O)c1C#N)c1cccc(c1)Cl
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.722g/mol
Monoisotopic Mass:
276.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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