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2,4,5-T-2-Ethylhexyl Ester

CAT: 0572-TRC-T795153-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T795153-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1928-47-8
Synonyms
Acetic acid, 2-(2,4,5-trichlorophenoxy)-, 2-ethylhexyl ester; Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethylhexyl ester (6CI,7CI,8CI,9CI); 2,4,5-T 2-Ethylhexyl ester; 2,4,5-T Ethylhexyl ester; 2,4,5-Trichlorophenoxyacetic acid 2-ethylhexyl ester; 2-Ethylhexyl 2,4,5-trichlorophenoxyacetate
Hazard Statement
No Data Available
Smiles
CCCCC(CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
Molecular Formula
C16 H21 Cl3 O3
Molecular Weight
367.7
InChI
InChI=1S/C16H21Cl3O3/c1-3-5-6-11(4-2)9-22-16(20)10-21-15-8-13(18)12(17)7-14(15)19/h7-8,11H,3-6,9-10H2,1-2H3
Additionnal Information
IUPAC name: 2-ethylhexyl 2-(2,4,5-trichlorophenoxy)acetate
Shipping Conditions
Room Temperature

Chemical Information

2,4,5-T-2-ethylhexyl
CAS Number1928-47-8
PubChem CID15998
IUPAC Name2-ethylhexyl 2-(2,4,5-trichlorophenoxy)acetate
Molecular FormulaC16H21Cl3O3
Molecular Weight367.7
XLogP6.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count22
Formal Charge0
Complexity328
SMILES
CCCCC(CC)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C16H21Cl3O3/c1-3-5-6-11(4-2)9-22-16(20)10-21-15-8-13(18)12(17)7-14(15)19/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
MNELUOHPQMJXGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-T-2-ethylhexyl
CAS: 1928-47-8
CID: 15998
Formula: C16H21Cl3O3
MW: 367.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.7
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass366.055628
Monoisotopic Mass366.055628
Topological Polar Surface Area35.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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