Methyl 2,6-dichlorophenoxyacetate

CAT: 1596-AR-D06911-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D06911-02Size:25 Units

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CAS Number

1928-49-0

Synonyms

Methyl 2- (2,6-dichlorophenoxy) acetate

Molecular Formula

C9H8Cl2O3

Molecular Weight

235.06

API Name

Dichlorophenoxyacetate

Chemical Information

Methyl (2,6-dichlorophenoxy)acetate

CAS Number	1928-49-0
PubChem CID	23434653
IUPAC Name	methyl 2-(2,6-dichlorophenoxy)acetate
Molecular Formula	C9H8Cl2O3
Molecular Weight	235.06
XLogP	3.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

COC(=O)COC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C9H8Cl2O3/c1-13-8(12)5-14-9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3

InChIKey

BCPPNSKJFSXSAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1928-49-0

CID: 23434653

Formula: C9H8Cl2O3

MW: 235.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.06
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	233.9850495
Monoisotopic Mass	233.9850495
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
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

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