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825620-19-7 | 4-Quinolinol, 7-(methylthio)-2-phenyl-
CAS No: 825620-19-7 Catalog No: AG00540C MDL No:
Product Description
Catalog Number:
AG00540C
Chemical Name:
4-Quinolinol, 7-(methylthio)-2-phenyl-
CAS Number:
825620-19-7
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
7-methylsulfanyl-2-phenyl-1H-quinolin-4-one
InChI:
InChI=1S/C16H13NOS/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChI Key:
UJUIJUGNIZPQKP-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)nc(cc2O)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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