4-[(4-carboxyphenyl)diazenyl]benzoic acid

C14H10N2O4 — CID 11471

IUPAC4-[(4-carboxyphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)/b16-15+
InChIKeyNWHZQELJCLSKNV-FOCLMDBBSA-N
MW270.24 g/mol
LogP3.50
Rot. Bonds4

About 4-[(4-carboxyphenyl)diazenyl]benzoic acid

4-[(4-carboxyphenyl)diazenyl]benzoic acid (PubChem CID 11471) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-[(4-carboxyphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-carboxyphenyl)diazenyl]benzoic acid
PubChem CID11471
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name4-[(4-carboxyphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)/b16-15+
InChIKeyNWHZQELJCLSKNV-FOCLMDBBSA-N
XLogP3.50
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[(4-carboxyphenyl)diazenyl]benzoic acid?
The IUPAC name of 4-[(4-carboxyphenyl)diazenyl]benzoic acid (CID 11471) is 4-[(4-carboxyphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(4-carboxyphenyl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(4-carboxyphenyl)diazenyl]benzoic acid is O=C(O)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-carboxyphenyl)diazenyl]benzoic acid?
The InChIKey is NWHZQELJCLSKNV-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)/b16-15+.
What are the key properties of 4-[(4-carboxyphenyl)diazenyl]benzoic acid?
4-[(4-carboxyphenyl)diazenyl]benzoic acid has a molecular weight of 270.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carboxyphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 11471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).