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5-(2,6-dichloro-4-(3,3-dichloro-2-propenyloxy)phenoxy)pentyloxyacetone O-acetyloxime

HCID 54379992
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)ON=C(C)COCCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIKey
UZFUOJLYRPXDIR-UHFFFAOYSA-N
Molecular formula
C19H23Cl4NO5
Average molar mass
487.2 g/mol
Monoisotopic mass
485.033034

Names & identifiers

Preferred name
5-(2,6-dichloro-4-(3,3-dichloro-2-propenyloxy)phenoxy)pentyloxyacetone O-acetyloxime
IUPAC
[1-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]propan-2-ylideneamino] acetate

Names & synonyms

SCHEMBL6548642UZFUOJLYRPXDIR-UHFFFAOYSA-N5-(2,6-dichloro-4-(3,3-dichloro-2-propenyloxy)phenoxy)pentyloxyacetone O-acetyloxime

Database identifiers

PubChem CID
54379992

Properties

Computed structural propertiesFilling in

XLogP
5.9
Topological polar surface area
66.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
14
Heavy atoms
29
Formal charge
0
Complexity
531

Related reactions

3 records
New reaction record
HRID 214099 reaction equation
HRID 214099As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1280206 reaction equation
HRID 1280206As productuspto-grants-2002_09
HRID 2305029 reaction equation
HRID 2305029As productuspto-grants-2002_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes