3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid
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3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid
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CAS No:
327092-81-9
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Formula:
C16H15NO4S
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Chemical Name:
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid
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Synonyms:
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid;3-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid;3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid;BAS 05946210;Benzoic acid, 3-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)-;EU-0040696;Oprea1_065304;TimTec1_006094
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CAS No:
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid Basic Attributes
317
317.07200
DTXSID20351900
2933499090
Computed Properties
Molecular Weight:317.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:317.07217913
Monoisotopic Mass:317.07217913
Topological Polar Surface Area:83.1
Heavy Atom Count:22
Complexity:513
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid
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