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893735-44-9 | 1-[5-(3-Quinolinyl)-2-thienyl]ethanone
CAS No: 893735-44-9 Catalog No: AG01EYL7 MDL No:
Product Description
Catalog Number:
AG01EYL7
Chemical Name:
1-[5-(3-Quinolinyl)-2-thienyl]ethanone
CAS Number:
893735-44-9
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
IUPAC Name:
1-(5-quinolin-3-ylthiophen-2-yl)ethanone
InChI:
InChI=1S/C15H11NOS/c1-10(17)14-6-7-15(18-14)12-8-11-4-2-3-5-13(11)16-9-12/h2-9H,1H3
InChI Key:
FIHITGZQXXTGAY-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)c1cnc2c(c1)cccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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