Azane;2-(2,4-dichlorophenoxy)propanoic acid

C₉H₁₁Cl₂NO₃ — CID 173303839

About Azane;2-(2,4-dichlorophenoxy)propanoic acid

Azane;2-(2,4-dichlorophenoxy)propanoic acid (PubChem CID 173303839) has the molecular formula C₉H₁₁Cl₂NO₃ and a molecular weight of 252.10 g/mol. Its IUPAC name is azane;2-(2,4-dichlorophenoxy)propanoic acid.

Molecular Properties

• Compound Name: Azane;2-(2,4-dichlorophenoxy)propanoic acid
• PubChem CID: 173303839
• Molecular Formula: C₉H₁₁Cl₂NO₃
• Molecular Weight: 252.10 g/mol
• Exact Mass: 251.01
• IUPAC Name: azane;2-(2,4-dichlorophenoxy)propanoic acid
• SMILES: CC(Oc1ccc(Cl)cc1Cl)C(=O)O.N
• InChI: InChI=1S/C9H8Cl2O3.H3N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);1H3
• InChIKey: KIOAHPKRMDELKS-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 81.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.10
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Azane;2-(2,4-dichlorophenoxy)propanoic acid?

The IUPAC name of Azane;2-(2,4-dichlorophenoxy)propanoic acid (CID 173303839) is azane;2-(2,4-dichlorophenoxy)propanoic acid.

What is the SMILES notation for Azane;2-(2,4-dichlorophenoxy)propanoic acid?

The canonical SMILES for Azane;2-(2,4-dichlorophenoxy)propanoic acid is CC(Oc1ccc(Cl)cc1Cl)C(=O)O.N.

What is the InChIKey of Azane;2-(2,4-dichlorophenoxy)propanoic acid?

The InChIKey is KIOAHPKRMDELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3.H3N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);1H3.

What are the key properties of Azane;2-(2,4-dichlorophenoxy)propanoic acid?

Azane;2-(2,4-dichlorophenoxy)propanoic acid has a molecular weight of 252.10 g/mol, XLogP of 3.01, 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)propanoic acid is sourced from PubChem (CID 173303839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173303839 — identifiers, structure, computed properties (public domain)

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