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Home > Pyridines > 139003-62-6
139003-62-6 | Pyridine, 2-[1-(phenylsulfonyl)-1H-pyrrol-2-yl]-
CAS No: 139003-62-6 Catalog No: AG001A08 MDL No:
Product Description
Catalog Number:
AG001A08
Chemical Name:
Pyridine, 2-[1-(phenylsulfonyl)-1H-pyrrol-2-yl]-
CAS Number:
139003-62-6
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
IUPAC Name:
2-[1-(benzenesulfonyl)pyrrol-2-yl]pyridine
InChI:
InChI=1S/C15H12N2O2S/c18-20(19,13-7-2-1-3-8-13)17-12-6-10-15(17)14-9-4-5-11-16-14/h1-12H
InChI Key:
GSTQBVBYAKGHLG-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1cccc1c1ccccn1)c1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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