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Home > Quinoline > 1046815-76-2
1046815-76-2 | 2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CAS No: 1046815-76-2 Catalog No: AG0091J7 MDL No:
Product Description
Catalog Number:
AG0091J7
Chemical Name:
2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CAS Number:
1046815-76-2
IUPAC Name:
2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-ol
InChI:
InChI=1S/C10H13NO3S/c1-15(13,14)11-5-4-8-6-10(12)3-2-9(8)7-11/h2-3,6,12H,4-5,7H2,1H3
InChI Key:
UQUVGFXRCJRBSJ-UHFFFAOYSA-N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Design and evaluation of fragment-like estrogen receptor tetrahydroisoquinoline ligands from a scaffold-detection approach. | Journal of medicinal chemistry 20110414 |
| Bioactivity-guided mapping and navigation of chemical space. | Nature chemical biology 20090801 |
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