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89817-93-6 | 3-Pyridinecarboxaldehyde, 1-(4-chlorophenyl)-1,2-dihydro-2-thioxo-
CAS No: 89817-93-6 Catalog No: AG003Z6J MDL No:
Product Description
Catalog Number:
AG003Z6J
Chemical Name:
3-Pyridinecarboxaldehyde, 1-(4-chlorophenyl)-1,2-dihydro-2-thioxo-
CAS Number:
89817-93-6
Molecular Formula:
C12H8ClNOS
Molecular Weight:
249.7160
IUPAC Name:
1-(4-chlorophenyl)-2-sulfanylidenepyridine-3-carbaldehyde
InChI:
InChI=1S/C12H8ClNOS/c13-10-3-5-11(6-4-10)14-7-1-2-9(8-15)12(14)16/h1-8H
InChI Key:
XHOUQAJGKNKGFI-UHFFFAOYSA-N
SMILES:
O=Cc1cccn(c1=S)c1ccc(cc1)Cl
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.712g/mol
Monoisotopic Mass:
249.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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