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(2,4-Dichlorophenoxy-d3)acetic Acid

CAT: 0572-TRC-D435689-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D435689-5MGSize:5 mg
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CAS Number
202480-67-9
Synonyms
Acetic acid, (4,6-dichlorophenoxy-2,3,5-d3)- (9CI); 2,4-D D3; (2,4-Dichloro-3,5,6-trideuteriophenoxy)acetic Acid
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c(OCC(=O)O)c(Cl)c([2H])c1Cl
Molecular Formula
C8 2H3 H3 Cl2 O3
Molecular Weight
224.06
InChI
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i1D,2D,3D
Additionnal Information
IUPAC name: 2-(2,4-dichloro-3,5,6-trideuteriophenoxy)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(2,4-Dichloro-3,5,6-trideuteriophenoxy)acetic acid
CAS Number202480-67-9
PubChem CID12271480
IUPAC Name2-(2,4-dichloro-3,5,6-trideuteriophenoxy)acetic acid
Molecular FormulaC8H6Cl2O3
Molecular Weight224.05
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
[2H]C1=C(C(=C(C(=C1OCC(=O)O)Cl)[2H])Cl)[2H]
InChI
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i1D,2D,3D
InChIKey
OVSKIKFHRZPJSS-CBYSEHNBSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4-Dichloro-3,5,6-trideuteriophenoxy)acetic acid
CAS: 202480-67-9
CID: 12271480
Formula: C8H6Cl2O3
MW: 224.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.05
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass222.9882297
Monoisotopic Mass222.9882297
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
Isotope Atom Count3
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
DB01662, 4-Dichlorophenoxy acetic acid
sc-205097A2,4-Dichlorophenoxy Acetic Acid
OR452057-012- (3,4-Dichlorophenoxy) acetic acid
AR-A01216-01Bis (2,4-Dichlorophenoxy) acetic Acid
25902,4-DICHLOROPHENOXY ACETIC ACID (2,4-D)
HY-W040287S4- (2,4-Dichlorophenoxy) butanoic acid-d3
CS-M-17761(2,3-Dichlorophenoxy) acetic acid
FD70067-01(2,4-Dichlorophenoxy) acetic acid methyl ester
CS-TB-29894(2,4-Dichlorophenoxy) acetic Acid Sodium Monohydrate
sc-275402(2,5-dichlorophenoxy) acetic acid

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