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3-Chloro-6-(1-cyanoethoxy)-benzaldehyde

HCID 21553923
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C#N)Oc1ccc(Cl)cc1C=O
InChIKey
VKVKDPPJYUQZCM-UHFFFAOYSA-N
Molecular formula
C10H8ClNO2
Average molar mass
209.63 g/mol

Names & identifiers

Preferred name
3-Chloro-6-(1-cyanoethoxy)-benzaldehyde
IUPAC
2-(4-chloro-2-formylphenoxy)propanenitrile

Names & synonyms

SCHEMBL11870708VKVKDPPJYUQZCM-UHFFFAOYSA-NAKOS0109592433-chloro-6-(1-cyanoethoxy)-benzaldehyde

Database identifiers

PubChem CID
21553923

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
248

Related reactions

2 records
New reaction record
HRID 267793 reaction equation
HRID 267793As productuspto-grants-1976_03
HRID 1206571 reaction equation
HRID 1206571As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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