sodium 2-(2,4-dichlorophenoxy)acetic acid

C8H6Cl2NaO3+ — CID 91996937

IUPACsodium 2-(2,4-dichlorophenoxy)acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1Cl.[Na+]
InChIInChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1
InChIKeyRFOHRSIAXQACDB-UHFFFAOYSA-N
MW244.03 g/mol
LogP-0.54
Rot. Bonds3

About sodium 2-(2,4-dichlorophenoxy)acetic acid

sodium 2-(2,4-dichlorophenoxy)acetic acid (PubChem CID 91996937) has the molecular formula C8H6Cl2NaO3+ and a molecular weight of 244.03 g/mol. Its IUPAC name is sodium 2-(2,4-dichlorophenoxy)acetic acid.

Molecular Properties

Compound Namesodium 2-(2,4-dichlorophenoxy)acetic acid
PubChem CID91996937
Molecular FormulaC8H6Cl2NaO3+
Molecular Weight244.03 g/mol
Exact Mass242.96
IUPAC Namesodium 2-(2,4-dichlorophenoxy)acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1Cl.[Na+]
InChIInChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1
InChIKeyRFOHRSIAXQACDB-UHFFFAOYSA-N
XLogP-0.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.03
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
4-(2,4-dichlorophenoxy)butanoic acid;2-(2,4,5-trichlorophenoxy)acetic acid
CID 70569666
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2,4-dichlorophenoxy)acetic acid?
The IUPAC name of sodium 2-(2,4-dichlorophenoxy)acetic acid (CID 91996937) is sodium 2-(2,4-dichlorophenoxy)acetic acid.
What is the SMILES notation for sodium 2-(2,4-dichlorophenoxy)acetic acid?
The canonical SMILES for sodium 2-(2,4-dichlorophenoxy)acetic acid is O=C(O)COc1ccc(Cl)cc1Cl.[Na+].
What is the InChIKey of sodium 2-(2,4-dichlorophenoxy)acetic acid?
The InChIKey is RFOHRSIAXQACDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1.
What are the key properties of sodium 2-(2,4-dichlorophenoxy)acetic acid?
sodium 2-(2,4-dichlorophenoxy)acetic acid has a molecular weight of 244.03 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,4-dichlorophenoxy)acetic acid is sourced from PubChem (CID 91996937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).