azanium 2-(4-chlorophenoxy)acetate

C8H10ClNO3 — CID 142591022

IUPACazanium 2-(4-chlorophenoxy)acetate
SMILESO=C([O-])COc1ccc(Cl)cc1.[NH4+]
InChIInChI=1S/C8H7ClO3.H3N/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);1H3
InChIKeyYLLBTFHVBVZTAQ-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.84
Rot. Bonds3

About azanium 2-(4-chlorophenoxy)acetate

azanium 2-(4-chlorophenoxy)acetate (PubChem CID 142591022) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is azanium 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Nameazanium 2-(4-chlorophenoxy)acetate
PubChem CID142591022
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Nameazanium 2-(4-chlorophenoxy)acetate
SMILESO=C([O-])COc1ccc(Cl)cc1.[NH4+]
InChIInChI=1S/C8H7ClO3.H3N/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);1H3
InChIKeyYLLBTFHVBVZTAQ-UHFFFAOYSA-N
XLogP0.84
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
lithium 2-(4-methylphenoxy)acetate
CID 19205665
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
5-(4-chlorophenoxy)pentanoate
CID 7037411
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate
CID 178200902
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide
CID 139571782

Frequently Asked Questions

What is the IUPAC name of azanium 2-(4-chlorophenoxy)acetate?
The IUPAC name of azanium 2-(4-chlorophenoxy)acetate (CID 142591022) is azanium 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for azanium 2-(4-chlorophenoxy)acetate?
The canonical SMILES for azanium 2-(4-chlorophenoxy)acetate is O=C([O-])COc1ccc(Cl)cc1.[NH4+].
What is the InChIKey of azanium 2-(4-chlorophenoxy)acetate?
The InChIKey is YLLBTFHVBVZTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3.H3N/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);1H3.
What are the key properties of azanium 2-(4-chlorophenoxy)acetate?
azanium 2-(4-chlorophenoxy)acetate has a molecular weight of 203.62 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 142591022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).