2-benzoyl-3-methyl-1H-isoquinoline-1-carbonitrile
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2-benzoyl-3-methyl-1H-isoquinoline-1-carbonitrile
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CAS No:
21259-77-8
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Formula:
C18H14N2O
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Chemical Name:
2-benzoyl-3-methyl-1H-isoquinoline-1-carbonitrile
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Synonyms:
2-benzoyl-3-methyl-1H-isoquinoline-1-carbonitrile;2-benzoyl-3-methyl-1,2-dihydroisoquinoline-1-carbonitrile;21259-77-8;2-benzoyl-3-methyl-1,2-dihydro-1-isoquinolinecarbonitrile;NSC101033;NCIOpen2_007006;MLS000702393;CHEMBL1341421;DTXSID40295296;HMS2604A04;MCULE-8342764433;NSC-101033;SMR000226380;AE-017/30049008;3-Methyl-2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
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CAS No:
2-benzoyl-3-methyl-1H-isoquinoline-1-carbonitrile Basic Attributes
274.3 g/mol
274.110613074 g/mol
101033
DTXSID40295296
Computed Properties
Molecular Weight:274.3
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:274.110613074
Monoisotopic Mass:274.110613074
Topological Polar Surface Area:44.1
Heavy Atom Count:21
Complexity:481
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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