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568570-05-8 | N-butyl-2-phenylethene-1-sulfonamide
CAS No: 568570-05-8 Catalog No: AG019OWX MDL No:MFCD00862973
Product Description
Catalog Number:
AG019OWX
Chemical Name:
N-butyl-2-phenylethene-1-sulfonamide
CAS Number:
568570-05-8
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
MDL Number:
MFCD00862973
IUPAC Name:
N-butyl-2-phenylethenesulfonamide
InChI:
InChI=1S/C12H17NO2S/c1-2-3-10-13-16(14,15)11-9-12-7-5-4-6-8-12/h4-9,11,13H,2-3,10H2,1H3
InChI Key:
PZDKTCRAXMQZTK-UHFFFAOYSA-N
SMILES:
CCCCNS(=O)(=O)C=Cc1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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