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beta-(N-chloroacetyl-2,6-dimethylphenylamino)propionaldehyde O-methyloxime

HCID 53798477
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CON=CCCN(C(=O)CCl)c1c(C)cccc1C
InChIKey
FGSLKEWNLJXYSR-UHFFFAOYSA-N
Molecular formula
C14H19ClN2O2
Average molar mass
282.76 g/mol

Names & identifiers

Preferred name
beta-(N-chloroacetyl-2,6-dimethylphenylamino)propionaldehyde O-methyloxime
IUPAC
2-chloro-N-(2,6-dimethylphenyl)-N-(3-methoxyiminopropyl)acetamide

Names & synonyms

SCHEMBL11253733FGSLKEWNLJXYSR-UHFFFAOYSA-Nbeta-(N-chloroacetyl-2,6-dimethylphenylamino)propionaldehyde O-methyloxime

Database identifiers

PubChem CID
53798477

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
41.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
300

Related reactions

4 records
New reaction record
HRID 46578 reaction equation
HRID 46578As productuspto-grants-1979_11
HRID 443343 reaction equation
HRID 443343As productuspto-grants-1981_04
HRID 1212255 reaction equation
HRID 1212255As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2286040 reaction equation
HRID 2286040As productuspto-grants-1982_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes