2,3,5,6-tetrabromo-4-chlorophenol

C6HBr4ClO — CID 519745

IUPAC2,3,5,6-tetrabromo-4-chlorophenol
SMILESOc1c(Br)c(Br)c(Cl)c(Br)c1Br
InChIInChI=1S/C6HBr4ClO/c7-1-3(9)6(12)4(10)2(8)5(1)11/h12H
InChIKeyHHPGOBVKUZQECQ-UHFFFAOYSA-N
MW444.14 g/mol
LogP5.10
Rot. Bonds

About 2,3,5,6-tetrabromo-4-chlorophenol

2,3,5,6-tetrabromo-4-chlorophenol (PubChem CID 519745) has the molecular formula C6HBr4ClO and a molecular weight of 444.14 g/mol. Its IUPAC name is 2,3,5,6-tetrabromo-4-chlorophenol.

Molecular Properties

Compound Name2,3,5,6-tetrabromo-4-chlorophenol
PubChem CID519745
Molecular FormulaC6HBr4ClO
Molecular Weight444.14 g/mol
Exact Mass439.64
IUPAC Name2,3,5,6-tetrabromo-4-chlorophenol
SMILESOc1c(Br)c(Br)c(Cl)c(Br)c1Br
InChIInChI=1S/C6HBr4ClO/c7-1-3(9)6(12)4(10)2(8)5(1)11/h12H
InChIKeyHHPGOBVKUZQECQ-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.14
LogP ≤ 55.10
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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Related Compounds

2,3,4,5-Tetrabromo-6-chlorophenol
CID 13119824
m-Chlortetrabromphenol
CID 13119826
Dibrom-p-chlorphenol
CID 20842000
p-Chlortribromphenol
CID 101639044
Tribrom-m-chlorphenol
CID 129649192
4-Chlor-3,5-dibrom-2,6-dijodphenol
CID 129649288
2,3,5-Tribromo-4,6-dichlorophenol
CID 15930737
2,3,5-Tribromo-6-chlorobenzene-1,4-diol
CID 17761063
2,5-Dibromo-4-chlorophenol
CID 84813839
2,3,6-Tribromo-4-chlorophenol
CID 154096630
3,4,6-Tribromo-2-chlorophenol
CID 163508440
2,3,5-Tribromo-6-chlorophenol
CID 178183192

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrabromo-4-chlorophenol?
The IUPAC name of 2,3,5,6-tetrabromo-4-chlorophenol (CID 519745) is 2,3,5,6-tetrabromo-4-chlorophenol.
What is the SMILES notation for 2,3,5,6-tetrabromo-4-chlorophenol?
The canonical SMILES for 2,3,5,6-tetrabromo-4-chlorophenol is Oc1c(Br)c(Br)c(Cl)c(Br)c1Br.
What is the InChIKey of 2,3,5,6-tetrabromo-4-chlorophenol?
The InChIKey is HHPGOBVKUZQECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr4ClO/c7-1-3(9)6(12)4(10)2(8)5(1)11/h12H.
What are the key properties of 2,3,5,6-tetrabromo-4-chlorophenol?
2,3,5,6-tetrabromo-4-chlorophenol has a molecular weight of 444.14 g/mol, XLogP of 5.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrabromo-4-chlorophenol is sourced from PubChem (CID 519745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).