(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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CAS No:
1214625-49-6
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Formula:
C16H14N2O6S
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Chemical Name:
(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Synonyms:
ZINC2654581;EN300-87600;(3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;1214625-49-6
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CAS No:
(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Basic Attributes
362.4 g/mol
362.05725734 g/mol
Computed Properties
Molecular Weight:362.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:362.05725734
Monoisotopic Mass:362.05725734
Topological Polar Surface Area:129
Heavy Atom Count:25
Complexity:626
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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