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2- (3,4-Dichlorophenoxy) acetic acid

CAT: 0127-OR452057-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR452057-01Size:1 g
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CAS Number
588-22-7
MDL Number
MFCD00004303
Purity
97%
Smiles
OC(=O)COc1ccc(Cl)c(Cl)c1

Chemical Information

(3,4-Dichlorophenoxy)acetic acid

3,4-dichlorophenoxyacetic acid is a chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines. It has a role as a phenoxy herbicide.

CAS Number588-22-7
PubChem CID11495
IUPAC Name2-(3,4-dichlorophenoxy)acetic acid
Molecular FormulaC8H6Cl2O3
Molecular Weight221.03
XLogP2.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
C1=CC(=C(C=C1OCC(=O)O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
SNYRXHULAWEECU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3,4-Dichlorophenoxy)acetic acid
CAS: 588-22-7
CID: 11495
Formula: C8H6Cl2O3
MW: 221.03
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.03
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass219.9693994
Monoisotopic Mass219.9693994
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AAA588222- (3,4-Dichlorophenoxy) acetic acid
DB01662, 4-Dichlorophenoxy acetic acid
sc-205097A2,4-Dichlorophenoxy Acetic Acid
CS-M-17761(2,3-Dichlorophenoxy) acetic acid
TRC-D435689-5MG(2,4-Dichlorophenoxy-d3)acetic Acid
AR-A01216-01Bis (2,4-Dichlorophenoxy) acetic Acid
AAA58764-012- (3,5-Dichlorophenoxy) acetic acid
CS-TB-29894(2,4-Dichlorophenoxy) acetic Acid Sodium Monohydrate
FD70067-01(2,4-Dichlorophenoxy) acetic acid methyl ester
25902,4-DICHLOROPHENOXY ACETIC ACID (2,4-D)

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