2,3,4-tribromophenolate

C6H2Br3O- — CID 18781512

IUPAC2,3,4-tribromophenolate
SMILES[O-]c1ccc(Br)c(Br)c1Br
InChIInChI=1S/C6H3Br3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H/p-1
InChIKeyOUCSIUCEQVCDEL-UHFFFAOYSA-M
MW329.79 g/mol
LogP3.05
Rot. Bonds

About 2,3,4-tribromophenolate

2,3,4-tribromophenolate (PubChem CID 18781512) has the molecular formula C6H2Br3O- and a molecular weight of 329.79 g/mol. Its IUPAC name is 2,3,4-tribromophenolate.

Molecular Properties

Compound Name2,3,4-tribromophenolate
PubChem CID18781512
Molecular FormulaC6H2Br3O-
Molecular Weight329.79 g/mol
Exact Mass326.77
IUPAC Name2,3,4-tribromophenolate
SMILES[O-]c1ccc(Br)c(Br)c1Br
InChIInChI=1S/C6H3Br3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H/p-1
InChIKeyOUCSIUCEQVCDEL-UHFFFAOYSA-M
XLogP3.05
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium 2,3,4-tribromophenolate
CID 23695920
potassium 2-bromo-4-chlorophenolate
CID 155570477
(2,3,4-tribromophenyl)boronic acid;zinc
CID 175795604
1,2,3,4,5-pentabromo-6-(2,3,4-tribromophenyl)benzene
CID 3032840
1,2,4-tribromo-3-iodobenzene
CID 119023408
CID 141431857
CID 141431857
2-bromo-4-fluorophenolate
CID 154609480
tetrakis(2-bromophenolate);hafnium(4+)
CID 102051879
sodium 2-bromophenolate
CID 20610457
1,2,4-tribromo-3-nitrobenzene
CID 118837685
2-bromo-4-phenylphenolate
CID 155760391
bromo methyl (2,3,4-tribromophenyl) borate
CID 175456800

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tribromophenolate?
The IUPAC name of 2,3,4-tribromophenolate (CID 18781512) is 2,3,4-tribromophenolate.
What is the SMILES notation for 2,3,4-tribromophenolate?
The canonical SMILES for 2,3,4-tribromophenolate is [O-]c1ccc(Br)c(Br)c1Br.
What is the InChIKey of 2,3,4-tribromophenolate?
The InChIKey is OUCSIUCEQVCDEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3Br3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H/p-1.
What are the key properties of 2,3,4-tribromophenolate?
2,3,4-tribromophenolate has a molecular weight of 329.79 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribromophenolate is sourced from PubChem (CID 18781512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).