2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, 2,2,2-trichloroethyl ester
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2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, 2,2,2-trichloroethyl ester
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CAS No:
17954-24-4
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Formula:
C13H9Cl3N2O2
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Chemical Name:
2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, 2,2,2-trichloroethyl ester
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Synonyms:
2(1H)-Isoquinolinecarboxylic acid,1-cyano-,2,2,2-trichloroethyl ester;Ethanol,2,2,2-trichloro-1-cyano-2(1H)-isoquinolinecarboxylate;NSC 148792;2,2,2-Trichloroethyl 1-cyano-1H-isoquinoline-2-carboxylate
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CAS No:
2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, 2,2,2-trichloroethyl ester Basic Attributes
331.6 g/mol
331.58
148792
DTXSID30302100
Computed Properties
Molecular Weight:331.6
XLogP3:3.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:329.972961
Monoisotopic Mass:329.972961
Topological Polar Surface Area:53.3
Heavy Atom Count:20
Complexity:452
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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