(3S)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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(3S)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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CAS No:
1212452-57-7
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Formula:
C16H13Cl2NO4S
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Chemical Name:
(3S)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Synonyms:
ZINC3296681;EN300-87569;(3S)-2-(2,6-Dichlorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;1212452-57-7
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CAS No:
(3S)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Basic Attributes
386.2 g/mol
384.9942345 g/mol
Computed Properties
Molecular Weight:386.2
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:384.9942345
Monoisotopic Mass:384.9942345
Topological Polar Surface Area:83.1
Heavy Atom Count:24
Complexity:569
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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