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124511-96-2 | Ethanone, 2-chloro-1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]-
CAS No: 124511-96-2 Catalog No: AG000M4T MDL No:MFCD07357279
Product Description
Catalog Number:
AG000M4T
Chemical Name:
Ethanone, 2-chloro-1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]-
CAS Number:
124511-96-2
Molecular Formula:
C13H12ClNO3S
Molecular Weight:
297.7573
MDL Number:
MFCD07357279
IUPAC Name:
2-chloro-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethanone
InChI:
InChI=1S/C13H12ClNO3S/c1-10-2-4-12(5-3-10)19(17,18)15-7-6-11(9-15)13(16)8-14/h2-7,9H,8H2,1H3
InChI Key:
YOGUEUYPEHSNNN-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.753g/mol
Monoisotopic Mass:
297.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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