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95175-84-1 | 1H-Isoindole-1,3(2H)-dione, 2-[[(4-ethenylphenyl)sulfonyl]methyl]-
CAS No: 95175-84-1 Catalog No: AG006PBC MDL No:
Product Description
Catalog Number:
AG006PBC
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[(4-ethenylphenyl)sulfonyl]methyl]-
CAS Number:
95175-84-1
Molecular Formula:
C17H13NO4S
Molecular Weight:
327.3544
IUPAC Name:
2-[(4-ethenylphenyl)sulfonylmethyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H13NO4S/c1-2-12-7-9-13(10-8-12)23(21,22)11-18-16(19)14-5-3-4-6-15(14)17(18)20/h2-10H,1,11H2
InChI Key:
STYSPJMKZZPFSF-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)S(=O)(=O)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.354g/mol
Monoisotopic Mass:
327.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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