2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol

C12H8Br2Cl2O4 — CID 174923260

IUPAC2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol
SMILESOc1ccc(O)c(Br)c1Br.Oc1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C6H4Br2O2.C6H4Cl2O2/c2*7-5-3(9)1-2-4(10)6(5)8/h2*1-2,9-10H
InChIKeyJUKNNXKRNHHUGV-UHFFFAOYSA-N
MW446.91 g/mol
LogP5.03
Rot. Bonds

About 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol

2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol (PubChem CID 174923260) has the molecular formula C12H8Br2Cl2O4 and a molecular weight of 446.91 g/mol. Its IUPAC name is 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol.

Molecular Properties

Compound Name2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol
PubChem CID174923260
Molecular FormulaC12H8Br2Cl2O4
Molecular Weight446.91 g/mol
Exact Mass443.82
IUPAC Name2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol
SMILESOc1ccc(O)c(Br)c1Br.Oc1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C6H4Br2O2.C6H4Cl2O2/c2*7-5-3(9)1-2-4(10)6(5)8/h2*1-2,9-10H
InChIKeyJUKNNXKRNHHUGV-UHFFFAOYSA-N
XLogP5.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.91
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol?
The IUPAC name of 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol (CID 174923260) is 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol.
What is the SMILES notation for 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol?
The canonical SMILES for 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol is Oc1ccc(O)c(Br)c1Br.Oc1ccc(O)c(Cl)c1Cl.
What is the InChIKey of 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol?
The InChIKey is JUKNNXKRNHHUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O2.C6H4Cl2O2/c2*7-5-3(9)1-2-4(10)6(5)8/h2*1-2,9-10H.
What are the key properties of 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol?
2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol has a molecular weight of 446.91 g/mol, XLogP of 5.03, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol is sourced from PubChem (CID 174923260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).