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1025424-03-6

1025424-03-6 | 1H-Isoindole, 2,3-dihydro-4-Methoxy-2-[(4-Methylphenyl)sulfonyl]-

CAS No: 1025424-03-6 Catalog No: AG0007OX MDL No:MFCD28101741

Product Description

Catalog Number:
AG0007OX
Chemical Name:
1H-Isoindole, 2,3-dihydro-4-Methoxy-2-[(4-Methylphenyl)sulfonyl]-
CAS Number:
1025424-03-6
Molecular Formula:
C16H17NO3S
Molecular Weight:
303.3761
MDL Number:
MFCD28101741
IUPAC Name:
4-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
InChI:
InChI=1S/C16H17NO3S/c1-12-6-8-14(9-7-12)21(18,19)17-10-13-4-3-5-16(20-2)15(13)11-17/h3-9H,10-11H2,1-2H3
InChI Key:
WUZKAVFZTPKEOZ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CN(C2)S(=O)(=O)c1ccc(cc1)C

Properties

Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.093g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.376g/mol
Monoisotopic Mass:
303.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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