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89667-33-4 | Methanone, benzo[b]thien-2-yl-3-pyridinyl-
CAS No: 89667-33-4 Catalog No: AG0043WC MDL No:
Product Description
Catalog Number:
AG0043WC
Chemical Name:
Methanone, benzo[b]thien-2-yl-3-pyridinyl-
CAS Number:
89667-33-4
Molecular Formula:
C14H9NOS
Molecular Weight:
239.2924
IUPAC Name:
1-benzothiophen-2-yl(pyridin-3-yl)methanone
InChI:
InChI=1S/C14H9NOS/c16-14(11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-9H
InChI Key:
NVQHIHKHEPIGHK-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(s1)cccc2)c1cccnc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.292g/mol
Monoisotopic Mass:
239.04g/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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