2,3-dibromo-4,5-dichlorophenol

C6H2Br2Cl2O — CID 88603820

IUPAC2,3-dibromo-4,5-dichlorophenol
SMILESOc1cc(Cl)c(Cl)c(Br)c1Br
InChIInChI=1S/C6H2Br2Cl2O/c7-4-3(11)1-2(9)6(10)5(4)8/h1,11H
InChIKeyBTCXCPSEDMUQJR-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.22
Rot. Bonds

About 2,3-dibromo-4,5-dichlorophenol

2,3-dibromo-4,5-dichlorophenol (PubChem CID 88603820) has the molecular formula C6H2Br2Cl2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 2,3-dibromo-4,5-dichlorophenol.

Molecular Properties

Compound Name2,3-dibromo-4,5-dichlorophenol
PubChem CID88603820
Molecular FormulaC6H2Br2Cl2O
Molecular Weight320.80 g/mol
Exact Mass317.78
IUPAC Name2,3-dibromo-4,5-dichlorophenol
SMILESOc1cc(Cl)c(Cl)c(Br)c1Br
InChIInChI=1S/C6H2Br2Cl2O/c7-4-3(11)1-2(9)6(10)5(4)8/h1,11H
InChIKeyBTCXCPSEDMUQJR-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4,5-dichlorophenol?
The IUPAC name of 2,3-dibromo-4,5-dichlorophenol (CID 88603820) is 2,3-dibromo-4,5-dichlorophenol.
What is the SMILES notation for 2,3-dibromo-4,5-dichlorophenol?
The canonical SMILES for 2,3-dibromo-4,5-dichlorophenol is Oc1cc(Cl)c(Cl)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-4,5-dichlorophenol?
The InChIKey is BTCXCPSEDMUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2Cl2O/c7-4-3(11)1-2(9)6(10)5(4)8/h1,11H.
What are the key properties of 2,3-dibromo-4,5-dichlorophenol?
2,3-dibromo-4,5-dichlorophenol has a molecular weight of 320.80 g/mol, XLogP of 4.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4,5-dichlorophenol is sourced from PubChem (CID 88603820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).