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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:39411 - chloropropylate
Main
ChEBI Ontology
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ChEBI Name
chloropropylate
ChEBI ID
CHEBI:39411
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H16Cl2O3
Net Charge
0
Average Mass
339.21254
Monoisotopic Mass
338.04765
InChI
InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKey
AXGUBXVWZBFQGA-UHFFFAOYSA-N
SMILES
CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Roles Classification
Application
(s):
bridged diphenyl acaricide
acaricide
A substance used to destroy pests of the subclass
Acari
(mites and ticks).
(via
organochlorine acaricide
)
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via
organochlorine pesticide
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
chloropropylate (
CHEBI:39411
)
has functional parent
4,4'-dichlorobenzilic acid (
CHEBI:39413
)
chloropropylate (
CHEBI:39411
)
has role
bridged diphenyl acaricide (
CHEBI:39412
)
chloropropylate (
CHEBI:39411
)
is a
isopropyl ester (
CHEBI:35725
)
chloropropylate (
CHEBI:39411
)
is a
monochlorobenzenes (
CHEBI:83403
)
chloropropylate (
CHEBI:39411
)
is a
organochlorine acaricide (
CHEBI:38657
)
chloropropylate (
CHEBI:39411
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
propan-2-yl bis(4-chlorophenyl)(hydroxy)acetate
Synonyms
Sources
1-Methylethyl 4-chloro-α-(4-chlorophenyl)-α-hydroxybenzeneacetate
NIST Chemistry WebBook
Isopropyl 4,4'-dichlorobenzilate
ChemIDplus
Manual Xrefs
Databases
149
PPDB
C19027
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2757308
Beilstein Registry Number
ChemIDplus
5836-10-2
CAS Registry Number
KEGG COMPOUND
5836-10-2
CAS Registry Number
NIST Chemistry WebBook
5836-10-2
CAS Registry Number
ChemIDplus
Last Modified
09 March 2018