3,5-Dibromo-4-hydroxybenzoic acid

Details

• Internal ID: 5b002518-ea10-44d6-ac09-0ef64397c88e
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
• IUPAC Name: 3,5-dibromo-4-hydroxybenzoic acid
• InChI: InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
• InChI Key: PHWAJJWKNLWZGJ-UHFFFAOYSA-N
• Popularity: 63 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₄Br₂O₃
• Molecular Weight: 295.91 g/mol
• Exact Mass: 295.85067 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 3.30

Synonyms

• 3337-62-0
• Bromoxynylbenzoic acid
• Benzoic acid, 3,5-dibromo-4-hydroxy-
• DiBrHBz
• 3,5-Dibromo-4-hydroxybenzoate
• CHEBI:1395
• Bromoxynilbenzoic acid
• 3,5-dibromo-4-hydroxy-benzoic acid
• MFCD00002548
• 95Z5A9EPEI
• DTXSID4041656
• NSC-21184
• 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid
• 3,5-Dibromo-4-hydroxybenzoicacid
• UNII-95Z5A9EPEI
• EINECS 222-075-0
• NSC 21184
• BROMOXYNIL ACID
• Epitope ID:122957
• 3,5-dibromo-p-salicylic acid
• SCHEMBL1114408
• CHEMBL3181991
• DTXCID2021656
• 3,5-Dibrom-4-hydroxy-benzoesaeure
• Benzoic acid,5-dibromo-4-hydroxy-
• NSC21184
• Tox21_301956
• 3,5-di-bromo-4-hydroxybenzoic acid
• AKOS000113704
• AC-7767
• acide dibromo-3,5 hydroxy-4-benzoique
• CS-W014549
• NCGC00255692-01
• DS-14433
• SY014325
• CAS-3337-62-0
• AM20061037
• D2674
• FT-0614497
• C03925
• EN300-116734
• O10919
• A821752
• AE-641/00667049
• J-511260
• Q27105450
• Z1269227546
• InChI=1/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12
• QSH

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.58%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	86.22%	89.34%
CHEMBL1811	P34995	Prostanoid EP1 receptor	85.50%	95.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.17%	95.56%
CHEMBL3194	P02766	Transthyretin	84.11%	90.71%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	83.71%	94.42%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.08%	86.33%
CHEMBL4208	P20618	Proteasome component C5	82.36%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.66%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 76857
• LOTUS: LTS0075570
• wikiData: Q27105450