benzyl 1-cyano-1H-isoquinoline-2-carboxylate
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benzyl 1-cyano-1H-isoquinoline-2-carboxylate
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CAS No:
17954-25-5
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Formula:
C18H14N2O2
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Chemical Name:
benzyl 1-cyano-1H-isoquinoline-2-carboxylate
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Synonyms:
17954-25-5;benzyl 1-cyanoisoquinoline-2(1h)-carboxylate;NSC148793;DTXSID90302101;NSC-148793;1-Cyanoisoquinoline-2(1H)-carboxylic acid benzyl ester
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CAS No:
benzyl 1-cyano-1H-isoquinoline-2-carboxylate Basic Attributes
290.3 g/mol
290.105527694 g/mol
148793
DTXSID90302101
Computed Properties
Molecular Weight:290.3
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:290.105527694
Monoisotopic Mass:290.105527694
Topological Polar Surface Area:53.3
Heavy Atom Count:22
Complexity:473
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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