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Home > Pyridines > 1094639-91-4
1094639-91-4 | 3-(1-benzothiophene-3-carbonyl)pyridine
CAS No: 1094639-91-4 Catalog No: AG01AGSK MDL No:MFCD11211448
Product Description
Catalog Number:
AG01AGSK
Chemical Name:
3-(1-benzothiophene-3-carbonyl)pyridine
CAS Number:
1094639-91-4
Molecular Formula:
C14H9NOS
Molecular Weight:
239.2924
MDL Number:
MFCD11211448
IUPAC Name:
1-benzothiophen-3-yl(pyridin-3-yl)methanone
InChI:
InChI=1S/C14H9NOS/c16-14(10-4-3-7-15-8-10)12-9-17-13-6-2-1-5-11(12)13/h1-9H
InChI Key:
RZWKYRKNEPYDED-UHFFFAOYSA-N
SMILES:
O=C(c1csc2c1cccc2)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:
3.4
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