3,5-Dichloro-4-(3-ethinylpropoxy)benzonitrile

HCID 10244012
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Basic information

Standard SMILES
C#CCCCOc1c(Cl)cc(C#N)cc1Cl
InChIKey
HMNYJRVGBXBEON-UHFFFAOYSA-N
Molecular formula
C12H9Cl2NO
Average molar mass
254.11 g/mol

Names & identifiers

Preferred name
3,5-Dichloro-4-(3-ethinylpropoxy)benzonitrile
IUPAC
3,5-dichloro-4-pent-4-ynoxybenzonitrile

Names & synonyms

SCHEMBL9520675HMNYJRVGBXBEON-UHFFFAOYSA-N3,5-Dichloro-4-(3-ethinylpropoxy)benzonitrile

Database identifiers

PubChem CID
10244012

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16

Related reactions

1 records
New reaction record

Compound notes

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