2-(5-BROMO-2-ETHOXY-BENZENESULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
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2-(5-BROMO-2-ETHOXY-BENZENESULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
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CAS No:
1008962-07-9
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Formula:
C18H18BrNO5S
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Chemical Name:
2-(5-BROMO-2-ETHOXY-BENZENESULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
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Synonyms:
2-(5-Bromo-2-ethoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid;1008962-07-9;2-(5-bromo-2-ethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;CTK6G2563;AKOS027427047;MCULE-4235945287;NE33753;EN300-04461;SR-01000039488;J-506114
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CAS No:
2-(5-BROMO-2-ETHOXY-BENZENESULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID Basic Attributes
440.31
439.009
Computed Properties
Molecular Weight:440.3
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:439.00891
Monoisotopic Mass:439.00891
Topological Polar Surface Area:92.3
Heavy Atom Count:26
Complexity:607
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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