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2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile

2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile structure

CAS No:
35096-40-3
Formula:
C19H16N2O3
Chemical Name:
2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile
Synonyms:
35096-40-3;2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile;NSC234295;TimTec1_005269;SCHEMBL1445931;DTXSID00310919;HMS1548P11;NSC-234295;2-benzoyl-1-cyano-6,7-dimethoxy-1,2-dihydroisoquinoline;2-benzoyl-1,2-dihydro-6,7-dimethoxyisoquinoline-1-carbonitrile;2-Benzoyl-6,7-dimethoxy-1,2-dihydro-1-isoquinolinecarbonitrile;2-Benzoyl-6,7-dimethoxy-1,2-dihydroisoquinoline-1-carbonitrile;Phenyl[(1-cyano-6,7-dimethoxy-1,2-dihydroisoquinoline)-2-yl] ketone

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2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile Basic Attributes

Molecular Weight：

320.3 g/mol

Exact Mass：

320.11609238 g/mol

NSC Number：

234295

DSSTox ID：

DTXSID00310919

Characteristics

PSA：

62.6 Å²

Computed Properties

Molecular Weight:320.3
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:320.11609238
Monoisotopic Mass:320.11609238
Topological Polar Surface Area:62.6
Heavy Atom Count:24
Complexity:532
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-benzoyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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