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825601-61-4 | Azetidine, 2-hexyl-1-[(4-methylphenyl)sulfonyl]-, (2R)-
CAS No: 825601-61-4 Catalog No: AG004YPB MDL No:
Product Description
Catalog Number:
AG004YPB
Chemical Name:
Azetidine, 2-hexyl-1-[(4-methylphenyl)sulfonyl]-, (2R)-
CAS Number:
825601-61-4
Molecular Formula:
C16H25NO2S
Molecular Weight:
295.4402
IUPAC Name:
(2R)-2-hexyl-1-(4-methylphenyl)sulfonylazetidine
InChI:
InChI=1S/C16H25NO2S/c1-3-4-5-6-7-15-12-13-17(15)20(18,19)16-10-8-14(2)9-11-16/h8-11,15H,3-7,12-13H2,1-2H3/t15-/m1/s1
InChI Key:
BTZWYGDKRAALMZ-OAHLLOKOSA-N
SMILES:
CCCCCC[C@@H]1CCN1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.161g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.441g/mol
Monoisotopic Mass:
295.161g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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