2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid

C18H13ClN2O3 — CID 44631847

IUPAC2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid
SMILESO=C(O)c1ccccc1/N=N/Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-10H,11H2,(H,22,23)/b21-20+
InChIKeyDXEQOPZWZBOVJA-QZQOTICOSA-N
MW340.77 g/mol
LogP5.58
Rot. Bonds5

About 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid

2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid (PubChem CID 44631847) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid
PubChem CID44631847
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid
SMILESO=C(O)c1ccccc1/N=N/Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-10H,11H2,(H,22,23)/b21-20+
InChIKeyDXEQOPZWZBOVJA-QZQOTICOSA-N
XLogP5.58
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.77
LogP ≤ 55.58
H-Bond Donors ≤ 51
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 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid?
The IUPAC name of 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid (CID 44631847) is 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid?
The canonical SMILES for 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid is O=C(O)c1ccccc1/N=N/Cc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid?
The InChIKey is DXEQOPZWZBOVJA-QZQOTICOSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-10H,11H2,(H,22,23)/b21-20+.
What are the key properties of 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid?
2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid has a molecular weight of 340.77 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)furan-2-yl]methyldiazenyl]benzoic acid is sourced from PubChem (CID 44631847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).