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2-(benzenesulfonyl)-2-methylsulfonylacetonitrile

2-(benzenesulfonyl)-2-methylsulfonylacetonitrile structure

CAS No:
56075-42-4
Formula:
C9H9NO4S2
Chemical Name:
2-(benzenesulfonyl)-2-methylsulfonylacetonitrile
Synonyms:
NSC229494;56075-42-4;DTXSID30310649;AKOS024330763;MCULE-2721493529;NSC-229494;(METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE

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2-(benzenesulfonyl)-2-methylsulfonylacetonitrile Basic Attributes

Molecular Weight：

259.3 g/mol

Exact Mass：

258.99730012 g/mol

NSC Number：

229494

DSSTox ID：

DTXSID30310649

Characteristics

PSA：

109 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:259.3
XLogP3:0.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:258.99730012
Monoisotopic Mass:258.99730012
Topological Polar Surface Area:109
Heavy Atom Count:16
Complexity:480
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(benzenesulfonyl)-2-methylsulfonylacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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