Ethyl tribromoacetate

Details

• Internal ID: b84f2d93-7674-4e88-98ab-83031f5525da
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Alpha-halocarboxylic acids and derivatives > Alpha-halocarboxylic acid derivatives
• IUPAC Name: ethyl 2,2,2-tribromoacetate
• InChI: InChI=1S/C4H5Br3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
• InChI Key: ZZUKBDJWZXVOQG-UHFFFAOYSA-N
• Popularity: 9 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₅Br₃O₂
• Molecular Weight: 324.79 g/mol
• Exact Mass: 323.78192 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 2.80

Synonyms

• ethyl 2,2,2-tribromoacetate
• Ethyl tribromoacetate, 97%
• SCHEMBL297524
• tribromo-acetic acid ethyl ester
• DTXSID60870665
• ZZUKBDJWZXVOQG-UHFFFAOYSA-N

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.85%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.67%	96.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.65%	97.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.59%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	81.62%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.49%	86.33%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.30%	97.21%
CHEMBL2581	P07339	Cathepsin D	80.29%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 521909
• LOTUS: LTS0071931
• wikiData: Q105387088