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1220028-87-4 | 5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline
CAS No: 1220028-87-4 Catalog No: AG01DP3O MDL No:MFCD13562255
Product Description
Catalog Number:
AG01DP3O
Chemical Name:
5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline
CAS Number:
1220028-87-4
MDL Number:
MFCD13562255
IUPAC Name:
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfonylaniline
InChI:
InChI=1S/C16H18N2O2S/c1-21(19,20)16-7-6-14(10-15(16)17)18-9-8-12-4-2-3-5-13(12)11-18/h2-7,10H,8-9,11,17H2,1H3
InChI Key:
XXNNNQPJHAMRSM-UHFFFAOYSA-N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.392g/mol
Monoisotopic Mass:
302.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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