2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid

C8H6Cl2N2O2 — CID 90775888

IUPAC2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid
SMILESO=C(O)C(Cl)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H6Cl2N2O2/c9-5-1-3-6(4-2-5)11-12-7(10)8(13)14/h1-4,7H,(H,13,14)/b12-11+
InChIKeyGGIHBHBPPZZTSS-VAWYXSNFSA-N
MW233.05 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid

2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid (PubChem CID 90775888) has the molecular formula C8H6Cl2N2O2 and a molecular weight of 233.05 g/mol. Its IUPAC name is 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid.

Molecular Properties

Compound Name2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid
PubChem CID90775888
Molecular FormulaC8H6Cl2N2O2
Molecular Weight233.05 g/mol
Exact Mass231.98
IUPAC Name2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid
SMILESO=C(O)C(Cl)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H6Cl2N2O2/c9-5-1-3-6(4-2-5)11-12-7(10)8(13)14/h1-4,7H,(H,13,14)/b12-11+
InChIKeyGGIHBHBPPZZTSS-VAWYXSNFSA-N
XLogP3.07
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid?
The IUPAC name of 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid (CID 90775888) is 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid.
What is the SMILES notation for 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid?
The canonical SMILES for 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid is O=C(O)C(Cl)/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid?
The InChIKey is GGIHBHBPPZZTSS-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H6Cl2N2O2/c9-5-1-3-6(4-2-5)11-12-7(10)8(13)14/h1-4,7H,(H,13,14)/b12-11+.
What are the key properties of 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid?
2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid has a molecular weight of 233.05 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid is sourced from PubChem (CID 90775888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).