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2-(benzenesulfonyl)-1H-isoquinoline-1-carbonitrile

2-(benzenesulfonyl)-1H-isoquinoline-1-carbonitrile structure

CAS No:
1035-19-4
Formula:
C16H12N2O2S
Chemical Name:
2-(benzenesulfonyl)-1H-isoquinoline-1-carbonitrile
Synonyms:
2-(phenylsulfonyl)-1,2-dihydroisoquinoline-1-carbonitrile;1035-19-4;NSC84399;2-(benzenesulfonyl)-1H-isoquinoline-1-carbonitrile;DTXSID40292649;NSC-84399;AKOS024337972;MCULE-4764080560;2-(phenylsulfonyl)-1,2-dihydro-1-isoquinolinecarbonitrile

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2-(benzenesulfonyl)-1H-isoquinoline-1-carbonitrile Basic Attributes

Molecular Weight：

296.3 g/mol

Exact Mass：

296.06194880 g/mol

NSC Number：

84399

DSSTox ID：

DTXSID40292649

Characteristics

PSA：

69.6 Å²

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:296.3
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:296.06194880
Monoisotopic Mass:296.06194880
Topological Polar Surface Area:69.6
Heavy Atom Count:21
Complexity:549
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(benzenesulfonyl)-1H-isoquinoline-1-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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