disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane

C17H15AsCl4Na2O9 — CID 165360495

IUPACdisodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.C[As](=O)([O-])[O-].O=C(O)COc1ccc(Cl)cc1Cl.[Na+].[Na+]
InChIInChI=1S/2C8H6Cl2O3.CH5AsO3.2Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2(3,4)5;;/h2-3H,1H3,(H,11,12);1-3H,4H2,(H,11,12);1H3,(H2,3,4,5);;/q;;;2*+1/p-2
InChIKeyZLCPRZWDYVUOAX-UHFFFAOYSA-L
MW626.01 g/mol
LogP-3.13
Rot. Bonds5

About disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane

disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane (PubChem CID 165360495) has the molecular formula C17H15AsCl4Na2O9 and a molecular weight of 626.01 g/mol. Its IUPAC name is disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane.

Molecular Properties

Compound Namedisodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane
PubChem CID165360495
Molecular FormulaC17H15AsCl4Na2O9
Molecular Weight626.01 g/mol
Exact Mass623.85
IUPAC Namedisodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.C[As](=O)([O-])[O-].O=C(O)COc1ccc(Cl)cc1Cl.[Na+].[Na+]
InChIInChI=1S/2C8H6Cl2O3.CH5AsO3.2Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2(3,4)5;;/h2-3H,1H3,(H,11,12);1-3H,4H2,(H,11,12);1H3,(H2,3,4,5);;/q;;;2*+1/p-2
InChIKeyZLCPRZWDYVUOAX-UHFFFAOYSA-L
XLogP-3.13
TPSA156.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.01
LogP ≤ 5-3.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane?
The IUPAC name of disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane (CID 165360495) is disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane.
What is the SMILES notation for disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane?
The canonical SMILES for disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane is COc1c(Cl)ccc(Cl)c1C(=O)O.C[As](=O)([O-])[O-].O=C(O)COc1ccc(Cl)cc1Cl.[Na+].[Na+].
What is the InChIKey of disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane?
The InChIKey is ZLCPRZWDYVUOAX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H6Cl2O3.CH5AsO3.2Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2(3,4)5;;/h2-3H,1H3,(H,11,12);1-3H,4H2,(H,11,12);1H3,(H2,3,4,5);;/q;;;2*+1/p-2.
What are the key properties of disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane?
disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane has a molecular weight of 626.01 g/mol, XLogP of -3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3,6-dichloro-2-methoxybenzoic acid;2-(2,4-dichlorophenoxy)acetic acid;methyl-dioxido-oxo-λ5-arsane is sourced from PubChem (CID 165360495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).