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827024-03-3 | 1H-Pyrrole, 2-benzoyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 827024-03-3 Catalog No: AG0051OV MDL No:
Product Description
Catalog Number:
AG0051OV
Chemical Name:
1H-Pyrrole, 2-benzoyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
827024-03-3
Molecular Formula:
C18H15NO3S
Molecular Weight:
325.3816
IUPAC Name:
[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone
InChI:
InChI=1S/C18H15NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(19)18(20)15-6-3-2-4-7-15/h2-13H,1H3
InChI Key:
KLCFTQKXTMMGNM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cccc1C(=O)c1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.077g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.382g/mol
Monoisotopic Mass:
325.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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