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1059128-86-7 | 1-(phenylsulfonyl)-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline
CAS No: 1059128-86-7 Catalog No: AG0091GD MDL No:
Product Description
Catalog Number:
AG0091GD
Chemical Name:
1-(phenylsulfonyl)-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline
CAS Number:
1059128-86-7
IUPAC Name:
2-(benzenesulfonyl)-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
InChI:
InChI=1S/C16H14N2O2S/c19-21(20,14-6-2-1-3-7-14)18-11-13-10-17-9-12-5-4-8-15(18)16(12)13/h1-8,11,17H,9-10H2
InChI Key:
GTTLPYDKIIPQQI-UHFFFAOYSA-N
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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