4-phenyldiazenylbenzoic acid

C13H10N2O2 — CID 15276

IUPAC4-phenyldiazenylbenzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)/b15-14+
InChIKeyCSPTZWQFHBVOLO-CCEZHUSRSA-N
MW226.23 g/mol
LogP3.80
Rot. Bonds3

About 4-phenyldiazenylbenzoic acid

4-phenyldiazenylbenzoic acid (PubChem CID 15276) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-phenyldiazenylbenzoic acid.

Molecular Properties

Compound Name4-phenyldiazenylbenzoic acid
PubChem CID15276
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name4-phenyldiazenylbenzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)/b15-14+
InChIKeyCSPTZWQFHBVOLO-CCEZHUSRSA-N
XLogP3.80
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.80
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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Related Compounds

4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
4-[(2-sulfanylphenyl)diazenyl]benzoic acid
CID 175186091
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
3-phenyldiazenylbenzoic acid
CID 555783
diphenyldiazene;urea
CID 175083568
4-(trifluoromethyldiazenyl)benzoic acid
CID 21236546
4-(1-phenylethyldiazenyl)benzoic acid
CID 91596137
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
terephthalic acid
CID 160582437
Lithium benzoate, 99%
CID 57451198
benzoic acid;zirconium
CID 173089080
benzoic acid;trihydrate
CID 157398339

Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenylbenzoic acid?
The IUPAC name of 4-phenyldiazenylbenzoic acid (CID 15276) is 4-phenyldiazenylbenzoic acid.
What is the SMILES notation for 4-phenyldiazenylbenzoic acid?
The canonical SMILES for 4-phenyldiazenylbenzoic acid is O=C(O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-phenyldiazenylbenzoic acid?
The InChIKey is CSPTZWQFHBVOLO-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)/b15-14+.
What are the key properties of 4-phenyldiazenylbenzoic acid?
4-phenyldiazenylbenzoic acid has a molecular weight of 226.23 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenylbenzoic acid is sourced from PubChem (CID 15276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).