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113826-07-6 | Pyridine, 3-[[1-(2,4-dichlorophenyl)butyl]sulfonyl]-
CAS No: 113826-07-6 Catalog No: AG0009TK MDL No:
Product Description
Catalog Number:
AG0009TK
Chemical Name:
Pyridine, 3-[[1-(2,4-dichlorophenyl)butyl]sulfonyl]-
CAS Number:
113826-07-6
Molecular Formula:
C15H15Cl2NO2S
Molecular Weight:
344.2561
IUPAC Name:
3-[1-(2,4-dichlorophenyl)butylsulfonyl]pyridine
InChI:
InChI=1S/C15H15Cl2NO2S/c1-2-4-15(13-7-6-11(16)9-14(13)17)21(19,20)12-5-3-8-18-10-12/h3,5-10,15H,2,4H2,1H3
InChI Key:
NQQFOBSOHQMGME-UHFFFAOYSA-N
SMILES:
CCCC(S(=O)(=O)c1cccnc1)c1ccc(cc1Cl)Cl
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.02g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.25g/mol
Monoisotopic Mass:
343.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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