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112806-56-1 | 1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-2-[(4-methylphenyl)sulfonyl]-
CAS No: 112806-56-1 Catalog No: AG0081SF MDL No:
Product Description
Catalog Number:
AG0081SF
Chemical Name:
1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-2-[(4-methylphenyl)sulfonyl]-
CAS Number:
112806-56-1
Molecular Formula:
C17H19NO4S
Molecular Weight:
333.4021
IUPAC Name:
5,6-dimethoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
InChI:
InChI=1S/C17H19NO4S/c1-12-4-6-15(7-5-12)23(19,20)18-10-13-8-16(21-2)17(22-3)9-14(13)11-18/h4-9H,10-11H2,1-3H3
InChI Key:
UVUCECCYCVBLQO-UHFFFAOYSA-N
SMILES:
COc1cc2CN(Cc2cc1OC)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.402g/mol
Monoisotopic Mass:
333.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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