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Home > Indoles and Oxindole > 81428-07-1
81428-07-1 | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide
CAS No: 81428-07-1 Catalog No: AG00JGGB MDL No:MFCD08059163
Product Description
Catalog Number:
AG00JGGB
Chemical Name:
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide
CAS Number:
81428-07-1
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
MDL Number:
MFCD08059163
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)-N,N-dimethylethanesulfonamide
InChI:
InChI=1S/C12H14N2O4S/c1-13(2)19(17,18)8-7-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6H,7-8H2,1-2H3
InChI Key:
GHHVGVBVWDYGJJ-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)CCN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.314g/mol
Monoisotopic Mass:
282.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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