2-(p-Fluorobenzoyl)-3-ethoxycrotononitrile

HCID 70529331
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Basic information

Standard SMILES
CCO/C(C)=C(\C#N)C(=O)c1ccc(F)cc1
InChIKey
CJCCZVLIERTOOW-FMIVXFBMSA-N
Molecular formula
C13H12FNO2
Average molar mass
233.24 g/mol

Names & identifiers

Preferred name
2-(p-Fluorobenzoyl)-3-ethoxycrotononitrile
IUPAC
(E)-3-ethoxy-2-(4-fluorobenzoyl)but-2-enenitrile

Names & synonyms

SCHEMBL11166940CJCCZVLIERTOOW-FMIVXFBMSA-N2-(p-fluorobenzoyl)-3-ethoxycrotononitrile

Database identifiers

PubChem CID
70529331

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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2-(p-Fluorobenzoyl)-3-ethoxycrotononitrile (HCID 70529331)｜Huagongshe