Home Sulfos 3-(oxane-4-sulfonyl)aniline

3-(oxane-4-sulfonyl)aniline

CAS No.:
1516603-25-0
Catalog Number:
AG01AMO2
Molecular Formula:
C11H15NO3S
Molecular Weight:
241.3067
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Product Description
Catalog Number:
AG01AMO2
Chemical Name:
3-(oxane-4-sulfonyl)aniline
CAS Number:
1516603-25-0
Molecular Formula:
C11H15NO3S
Molecular Weight:
241.3067
MDL Number:
MFCD24062648
IUPAC Name:
3-(oxan-4-ylsulfonyl)aniline
InChI:
InChI=1S/C11H15NO3S/c12-9-2-1-3-11(8-9)16(13,14)10-4-6-15-7-5-10/h1-3,8,10H,4-7,12H2
InChI Key:
DQOVMUSSADRIAY-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)S(=O)(=O)C1CCOCC1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.305g/mol
Monoisotopic Mass:
241.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties