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  • [2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propenyl]phenoxy]acetic acid
Structure

[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propenyl]phenoxy]acetic acid

CAS
41388-04-9
Catalog Number
ACM41388049
Category
Other Products
Molecular Weight
549.87328
Molecular Formula
C27H27Cl3N2O4

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Specification

Synonyms
EINECS 255-347-2, CID6432891, (2-(3-(3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene)-1-propenyl)phenoxy)acetic acid, 41388-04-9
IUPAC Name
2-[2-[(E,3Z)-3-[3-heptyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-4-ylidene]prop-1-enyl]phenoxy]acetic acid
Canonical SMILES
CCCCCCCC1=NN(C(=O)C1=CC=CC2=CC=CC=C2OCC(=O)O)C3=C(C=C(C=C3Cl)Cl)Cl
InChI Key
BEFLIKKIHRKGLG-NVMDDUPOSA-N
Boiling Point
677.6ºC at 760mmHg
Flash Point
363.6ºC
Density
1.3g/cm³
EC Number
255-347-2
Exact Mass
548.10400
H-Bond Acceptor
5
H-Bond Donor
1
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