2,4,5-trichlorophen...

2,4,5-trichlorophenyl acetate 5393-75-9

2,4,5-trichlorophenyl acetate 5393-75-9

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

Seedox (fungicide) 2,4,5-trichlorophenyl acetate 5393-75-9

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  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
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Details:

【Name】
2,4,5-trichlorophenyl acetate
【Iupac name】
(2,4,5-trichlorophenyl) acetate
【CAS Registry number】
5393-75-9
【Synonyms】
2,4,5-Trichlorophenol acetate
2,4,5-TRICHLOROPHENYL ACETATE
Phenol, 2,4,5-trichloro-, acetate
【Molecular Formula】
C8H5Cl3O2 (Products with the same molecular formula)
【Molecular Weight】
239.4831
【Inchi】
InChI=1/C8H5Cl3O2/c1-4(12)13-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3
【InChIKey】
IRMIPIZHLIHQST-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl
【MOL File】
5393-75-9.mol
Chemical and Physical Properties
【Density】
1.469g/cm3
【Boiling Point】
305.6°C at 760 mmHg
【Refractive Index】
1.554
【Flash Point】
131.5°C
【Computed Properties】
Molecular Weight:239.4831 [g/mol]
Molecular Formula:C8H5Cl3O2
XLogP3-AA:3.6
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:237.935513
MonoIsotopic Mass:237.935513
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Formal Charge:0
Complexity:198
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:10

 

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