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85111-44-0 | quinoline, 2-benzo[b]thien-2-yl-
CAS No: 85111-44-0 Catalog No: AG004OHB MDL No:
Product Description
Catalog Number:
AG004OHB
Chemical Name:
quinoline, 2-benzo[b]thien-2-yl-
CAS Number:
85111-44-0
Molecular Formula:
C17H11NS
Molecular Weight:
261.3409
IUPAC Name:
2-(1-benzothiophen-2-yl)quinoline
InChI:
InChI=1S/C17H11NS/c1-3-7-14-12(5-1)9-10-15(18-14)17-11-13-6-2-4-8-16(13)19-17/h1-11H
InChI Key:
WIODVQPPNKPCJA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(cc2)c1cc2c(s1)cccc2
NSC Number:
40283
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.342g/mol
Monoisotopic Mass:
261.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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