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861397-37-7 | 4-Quinolinol, 8-chloro-2-(ethylthio)-
CAS No: 861397-37-7 Catalog No: AG004KWL MDL No:
Product Description
Catalog Number:
AG004KWL
Chemical Name:
4-Quinolinol, 8-chloro-2-(ethylthio)-
CAS Number:
861397-37-7
Molecular Formula:
C11H10ClNOS
Molecular Weight:
239.7212
IUPAC Name:
8-chloro-2-ethylsulfanyl-1H-quinolin-4-one
InChI:
InChI=1S/C11H10ClNOS/c1-2-15-10-6-9(14)7-4-3-5-8(12)11(7)13-10/h3-6H,2H2,1H3,(H,13,14)
InChI Key:
YATAYNAGUJOUQC-UHFFFAOYSA-N
SMILES:
CCSc1cc(O)c2c(n1)c(Cl)ccc2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.717g/mol
Monoisotopic Mass:
239.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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