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2-(3-chlorobenzoyl)-1H-isoquinoline-1-carbonitrile

2-(3-chlorobenzoyl)-1H-isoquinoline-1-carbonitrile structure

CAS No:
94540-21-3
Formula:
C17H11ClN2O
Chemical Name:
2-(3-chlorobenzoyl)-1H-isoquinoline-1-carbonitrile
Synonyms:
94540-21-3;2-(3-chlorobenzoyl)-1,2-dihydroisoquinoline-1-carbonitrile;NSC131485;DTXSID10299584;AKOS024378875;MCULE-3427406858;NSC-131485;ST51023653;2-[(3-chlorophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile

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2-(3-chlorobenzoyl)-1H-isoquinoline-1-carbonitrile Basic Attributes

Molecular Weight：

294.7 g/mol

Exact Mass：

294.0559907 g/mol

NSC Number：

131485

DSSTox ID：

DTXSID10299584

Characteristics

PSA：

44.1 Å²

Computed Properties

Molecular Weight:294.7
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:294.0559907
Monoisotopic Mass:294.0559907
Topological Polar Surface Area:44.1
Heavy Atom Count:21
Complexity:480
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3-chlorobenzoyl)-1H-isoquinoline-1-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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