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129666-99-5 | Ethanone, 1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-2-yl]-
CAS No: 129666-99-5 Catalog No: AG000TL8 MDL No:MFCD00436532
Product Description
Catalog Number:
AG000TL8
Chemical Name:
Ethanone, 1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-2-yl]-
CAS Number:
129666-99-5
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
MDL Number:
MFCD00436532
IUPAC Name:
1-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]ethanone
InChI:
InChI=1S/C13H13NO3S/c1-10-5-7-12(8-6-10)18(16,17)14-9-3-4-13(14)11(2)15/h3-9H,1-2H3
InChI Key:
MYLYBCZMJRPTEU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cccc1C(=O)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.311g/mol
Monoisotopic Mass:
263.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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