3-(4-Chloro-3-fluorophenyl)-2-propenenitrile

HCID 69749269
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Basic information

Standard SMILES
N#CC=Cc1ccc(Cl)c(F)c1
InChIKey
IVKXEJFFWDMFQS-UHFFFAOYSA-N
Molecular formula
C9H5ClFN
Average molar mass
181.59 g/mol

Names & identifiers

Preferred name
3-(4-Chloro-3-fluorophenyl)-2-propenenitrile
IUPAC
3-(4-chloro-3-fluorophenyl)prop-2-enenitrile

Names & synonyms

SCHEMBL6349916IVKXEJFFWDMFQS-UHFFFAOYSA-NAKOS0174360893-(4-Chloro-3-fluorophenyl)-2-propenenitrile

Database identifiers

PubChem CID
69749269

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Related reactions

3 records
New reaction record

Compound notes

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