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89557-07-3

89557-07-3 | Benzeneethanesulfonamide, N-(1,1-dimethylethyl)-

CAS No: 89557-07-3 Catalog No: AG003YCE MDL No:

Product Description

Catalog Number:
AG003YCE
Chemical Name:
Benzeneethanesulfonamide, N-(1,1-dimethylethyl)-
CAS Number:
89557-07-3
Molecular Formula:
C12H19NO2S
Molecular Weight:
241.3498
IUPAC Name:
N-tert-butyl-2-phenylethanesulfonamide
InChI:
InChI=1S/C12H19NO2S/c1-12(2,3)13-16(14,15)10-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChI Key:
OAVQPVISHKLWRS-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)CCc1ccccc1)(C)C

Properties

Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.114g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.349g/mol
Monoisotopic Mass:
241.114g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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