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125159-93-5 | 4(1H)-Isoquinolinone, 2,3-dihydro-2-[(4-methylphenyl)sulfonyl]-
CAS No: 125159-93-5 Catalog No: AG000NA5 MDL No:MFCD26940552
Product Description
Catalog Number:
AG000NA5
Chemical Name:
4(1H)-Isoquinolinone, 2,3-dihydro-2-[(4-methylphenyl)sulfonyl]-
CAS Number:
125159-93-5
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
MDL Number:
MFCD26940552
IUPAC Name:
2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one
InChI:
InChI=1S/C16H15NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13-4-2-3-5-15(13)16(18)11-17/h2-9H,10-11H2,1H3
InChI Key:
PBYCNZJUBOWCEO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC(=O)c2c(C1)cccc2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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