2,4,6-Trichlorophenoxyacetic Acid

CAT: 0024-sc-474482Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-474482Size:5 g

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CAS Number

575-89-3

Chemical Information

2,4,6-Trichlorophenoxyacetic acid

CAS Number	575-89-3
PubChem CID	11331
IUPAC Name	2-(2,4,6-trichlorophenoxy)acetic acid
Molecular Formula	C8H5Cl3O3
Molecular Weight	255.5
XLogP	3.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	200

SMILES

C1=C(C=C(C(=C1Cl)OCC(=O)O)Cl)Cl

InChI

InChI=1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)

InChIKey

KZDCLQBOHGBWOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 575-89-3

CID: 11331

Formula: C8H5Cl3O3

MW: 255.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.5
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	253.930427
Monoisotopic Mass	253.930427
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	200
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
Compound Is Canonicalized	Yes

Catalog	Name
sc-209335	2,4,5-Trichlorophenoxyacetic Acid
sc-216282	2,4,5-Trichlorophenoxyacetic Acid-13C6
sc-275379	2,4,6-Triisopropylbenzoic acid
sc-231030	2,4,6-Trifluorobenzoic acid
sc-256338	2,4,6-Trimethoxybenzeneboronic acid
sc-260266A	2,4,6-Trichlorobenzeneboronic acid
sc-256335	2,4,6-Trifluorophenylboronic acid
sc-256338A	2,4,6-Trimethoxybenzeneboronic acid
sc-475886	2,4,6-Trihydroxybenzoic Acid
sc-275382	2,4,6-Trimethoxybenzoic acid

Catalog	Name
AR-C07169-01	2,4,6-Trichlorophenoxyacetic Acid
T20135-01	2,4,6-Trichlorophenoxyacetic acid 95%
AR-C07170-01	2,4,6-Trichlorophenoxyacetic Acid-13C6
TRC-T774155-10G	2,4,5-Trichlorophenoxyacetic Acid
AR-C07167-01	2,4,5-Trichlorophenoxyacetic Acid-d4
TRC-T774157-10MG	2,4,5-Trichlorophenoxyacetic Acid-13C6
289859	2,4,5-Trichlorophenoxyacetic acid discontinued
AG169	Trichlorophenoxyacetic Acid
230933-01	2,4,5-Trichlorophenoxyacetic acid ≥96%
TRC-T774445-250MG	2,4,5-Trichlorophenoxyacetic Acid Isobutyl Ester