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2-(4-methylphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile

2-(4-methylphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile structure

CAS No:
3340-68-9
Formula:
C17H14N2O2S
Chemical Name:
2-(4-methylphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile
Synonyms:
2-(Toluene-4-sulfonyl)-1,2-dihydro-isoquinoline-1-carbonitrile;3340-68-9;2-[(4-methylphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile;NSC82272;Cambridge id 5209103;NCIOpen2_009016;IFLab1_000892;DTXSID10292398;HMS1414I12;NSC-82272;STK835782;AKOS000541386;CCG-103002;MCULE-5096323542;ST50227497;SR-01000388212;SR-01000388212-1;2-[(4-methylphenyl)sulfonyl]-1,2-dihydroisoquinolinecarbonitrile

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2-(4-methylphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile Basic Attributes

Molecular Weight：

310.4 g/mol

Exact Mass：

310.07759887 g/mol

NSC Number：

82272

DSSTox ID：

DTXSID10292398

Characteristics

PSA：

69.6 Å²

Computed Properties

Molecular Weight:310.4
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:310.07759887
Monoisotopic Mass:310.07759887
Topological Polar Surface Area:69.6
Heavy Atom Count:22
Complexity:576
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-methylphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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