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4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile

4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile structure

CAS No:
35444-04-3
Formula:
C12H5F6NO
Chemical Name:
4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile
Synonyms:
35444-04-3;BENZONITRILE, p-(4,4,4-TRIFLUORO-3-TRIFLUOROMETHYLCROTONOYL)-;NSC 162091;BRN 3063614;NSC162091;p-(4,4,4-Trifluoro-3-trifluoromethylcrotonoyl)benzonitrile;4-((3,3,3-Trifluoro-2-trifluoromethyl)propenylcarbonyl)benzonitrile;DTXSID70188940;NSC-162091;p-[3,3-Bis(trifluoromethyl)propenoyl]benzonitrile;Benzonitrile,4,4-trifluoro-1-oxo-3-(trifluoromethyl)-2-butenyl]-

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4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile Basic Attributes

Molecular Weight：

293.16 g/mol

Exact Mass：

293.02753276 g/mol

NSC Number：

162091

DSSTox ID：

DTXSID70188940

Characteristics

PSA：

40.9 Å²

Computed Properties

Molecular Weight:293.16
XLogP3:3.8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:293.02753276
Monoisotopic Mass:293.02753276
Topological Polar Surface Area:40.9
Heavy Atom Count:20
Complexity:429
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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