5-chloro-2-[(4-chlorophenyl)diazenyl]phenol

C12H8Cl2N2O — CID 136798453

IUPAC5-chloro-2-[(4-chlorophenyl)diazenyl]phenol
SMILESOc1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2N2O/c13-8-1-4-10(5-2-8)15-16-11-6-3-9(14)7-12(11)17/h1-7,17H/b16-15+
InChIKeyCNQKZBNRYVDHBW-FOCLMDBBSA-N
MW267.12 g/mol
LogP5.11
Rot. Bonds2

About 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol

5-chloro-2-[(4-chlorophenyl)diazenyl]phenol (PubChem CID 136798453) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)diazenyl]phenol
PubChem CID136798453
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name5-chloro-2-[(4-chlorophenyl)diazenyl]phenol
SMILESOc1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2N2O/c13-8-1-4-10(5-2-8)15-16-11-6-3-9(14)7-12(11)17/h1-7,17H/b16-15+
InChIKeyCNQKZBNRYVDHBW-FOCLMDBBSA-N
XLogP5.11
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.12
LogP ≤ 55.11
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 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol (CID 136798453) is 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol is Oc1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol?
The InChIKey is CNQKZBNRYVDHBW-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-8-1-4-10(5-2-8)15-16-11-6-3-9(14)7-12(11)17/h1-7,17H/b16-15+.
What are the key properties of 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol?
5-chloro-2-[(4-chlorophenyl)diazenyl]phenol has a molecular weight of 267.12 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)diazenyl]phenol is sourced from PubChem (CID 136798453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).