azane;2-(2,4-dichlorophenoxy)acetic acid

C8H9Cl2NO3 — CID 12877609

IUPACazane;2-(2,4-dichlorophenoxy)acetic acid
SMILESN.O=C(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.H3N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);1H3
InChIKeyAQKNQRMIGNOQQF-UHFFFAOYSA-N
MW238.07 g/mol
LogP2.62
Rot. Bonds3

About azane;2-(2,4-dichlorophenoxy)acetic acid

azane;2-(2,4-dichlorophenoxy)acetic acid (PubChem CID 12877609) has the molecular formula C8H9Cl2NO3 and a molecular weight of 238.07 g/mol. Its IUPAC name is azane;2-(2,4-dichlorophenoxy)acetic acid.

Molecular Properties

Compound Nameazane;2-(2,4-dichlorophenoxy)acetic acid
PubChem CID12877609
Molecular FormulaC8H9Cl2NO3
Molecular Weight238.07 g/mol
Exact Mass237.00
IUPAC Nameazane;2-(2,4-dichlorophenoxy)acetic acid
SMILESN.O=C(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.H3N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);1H3
InChIKeyAQKNQRMIGNOQQF-UHFFFAOYSA-N
XLogP2.62
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-D-Dimethylammonium
CID 16180
Clofibrate
CID 2796
(2,4-Dichlorophenoxy)Acetic Acid
CID 1486
Trichlorophenoxyacetic acid
CID 1480
Diclofop-methyl
CID 39985
2,4-D-sodium
CID 23676704
2,4-D n-butyl ester
CID 7206
Clofibric Acid
CID 2797
4-(2,4-Dichlorophenoxy)butyric acid
CID 1489
Dichlorprop
CID 8427
(4-Chlorophenoxy)acetic acid
CID 26229
Fenoprop
CID 7158

Frequently Asked Questions

What is the IUPAC name of azane;2-(2,4-dichlorophenoxy)acetic acid?
The IUPAC name of azane;2-(2,4-dichlorophenoxy)acetic acid (CID 12877609) is azane;2-(2,4-dichlorophenoxy)acetic acid.
What is the SMILES notation for azane;2-(2,4-dichlorophenoxy)acetic acid?
The canonical SMILES for azane;2-(2,4-dichlorophenoxy)acetic acid is N.O=C(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of azane;2-(2,4-dichlorophenoxy)acetic acid?
The InChIKey is AQKNQRMIGNOQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.H3N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);1H3.
What are the key properties of azane;2-(2,4-dichlorophenoxy)acetic acid?
azane;2-(2,4-dichlorophenoxy)acetic acid has a molecular weight of 238.07 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(2,4-dichlorophenoxy)acetic acid is sourced from PubChem (CID 12877609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).