3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid
Basic information
- CAS
13990-07-3- Standard SMILES
O=C(O)C(=O)Cc1cc(Br)c(O)c(Br)c1- InChIKey
NJXFZTOQSMPMRY-UHFFFAOYSA-N- Molecular formula
- C9H6Br2O4
- Average molar mass
- 337.95 g/mol
- Monoisotopic mass
- 335.86328
Overview
3,5-dibromo-4-hydroxyphenylpyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,5-dibromo-4-hydroxyphenyl group. It is a member of phenols, a 2-oxo monocarboxylic acid and an organobromine compound. It is functionally related to a 2,6-dibromophenol and a pyruvic acid.
Names & identifiers
- Preferred name
- 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid
- IUPAC
- 3-(3,5-dibromo-4-hydroxyphenyl)-2-oxopropanoic acid
Names & synonyms
3-(3,5-dibromo-4-hydroxyphenyl)-2-oxopropanoic acid3,5-dibromo-4-hydroxyphenylpyruvic acid13990-07-33,5-Dibromo-4-hydroxyphenylpyruvateC04285SCHEMBL2165311CHEBI:28128DTXSID201238422MFCD25958836SY3401903,5-Dibromo-4-hydroxy-I+/--oxobenzenepropanoic acidQ27103516
Database identifiers
- CAS
13990-07-3- PubChem CID
- 440283
- DTXSID
DTXSID201238422- ChEBI
CHEBI:28128- Nikkaji
- J2.749.620B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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