4-(2-Propyl-3,4-dichlorophenoxy)butane nitrile

HCID 21297293
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Basic information

Standard SMILES
CCCc1c(OCCCC#N)ccc(Cl)c1Cl
InChIKey
RXOFFMFUOONPJA-UHFFFAOYSA-N
Molecular formula
C13H15Cl2NO
Average molar mass
272.17 g/mol

Names & identifiers

Preferred name
4-(2-Propyl-3,4-dichlorophenoxy)butane nitrile
IUPAC
4-(3,4-dichloro-2-propylphenoxy)butanenitrile

Names & synonyms

SCHEMBL10633514RXOFFMFUOONPJA-UHFFFAOYSA-N4-(2-propyl-3,4-dichlorophenoxy)butane nitrile

Database identifiers

PubChem CID
21297293

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
17

Related reactions

1 records
New reaction record

Compound notes

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4-(2-Propyl-3,4-dichlorophenoxy)butane nitrile (HCID 21297293)｜Huagongshe