2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
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2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
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CAS No:
61953-08-0
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Formula:
C16H14ClNO4S
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Chemical Name:
2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
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Synonyms:
2-chloro-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid;61953-08-0;2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic Acid;Oprea1_528667;ZINC3251791;AKOS000115032;MCULE-9455106065;NE33826;EN300-00499;Z53035375;2-Chloro-5-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid
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CAS No:
2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid Basic Attributes
351.8 g/mol
351.0332068 g/mol
Computed Properties
Molecular Weight:351.8
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:351.0332068
Monoisotopic Mass:351.0332068
Topological Polar Surface Area:83.1
Heavy Atom Count:23
Complexity:547
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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