4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
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4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
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CAS No:
380337-05-3
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Formula:
C16H14ClNO4S
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Chemical Name:
4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
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Synonyms:
4-chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid;380337-05-3;4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic Acid;Oprea1_833039;ZINC3243456;AKOS000114993;MCULE-1972796541;NE53667;EN300-00511;Z53035374
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CAS No:
4-chloro-3-(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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