2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid

C9H8ClFN2O2 — CID 57134949

IUPAC2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid
SMILESCC(/N=N/c1ccc(Cl)cc1F)C(=O)O
InChIInChI=1S/C9H8ClFN2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,14,15)/b13-12+
InChIKeyWHPKKGWLSNRCDS-OUKQBFOZSA-N
MW230.63 g/mol
LogP3.04
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid

2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid (PubChem CID 57134949) has the molecular formula C9H8ClFN2O2 and a molecular weight of 230.63 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid
PubChem CID57134949
Molecular FormulaC9H8ClFN2O2
Molecular Weight230.63 g/mol
Exact Mass230.03
IUPAC Name2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid
SMILESCC(/N=N/c1ccc(Cl)cc1F)C(=O)O
InChIInChI=1S/C9H8ClFN2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,14,15)/b13-12+
InChIKeyWHPKKGWLSNRCDS-OUKQBFOZSA-N
XLogP3.04
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid (CID 57134949) is 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid is CC(/N=N/c1ccc(Cl)cc1F)C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid?
The InChIKey is WHPKKGWLSNRCDS-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H8ClFN2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,14,15)/b13-12+.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid?
2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid has a molecular weight of 230.63 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)diazenyl]propanoic acid is sourced from PubChem (CID 57134949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).