2,2',3-Tribromobiphenyl-4,4'-dicarboxylic acid
Basic information
- Standard SMILES
O=C(O)c1ccc(-c2ccc(C(=O)O)c(Br)c2Br)c(Br)c1- InChIKey
BTFCVLPFWWMQRI-UHFFFAOYSA-N- Molecular formula
- C14H7Br3O4
- Average molar mass
- 478.91 g/mol
- Monoisotopic mass
- 475.78945
Names & identifiers
- Preferred name
- 2,2',3-Tribromobiphenyl-4,4'-dicarboxylic acid
- IUPAC
- 2,3-dibromo-4-(2-bromo-4-carboxyphenyl)benzoic acid
Names & synonyms
MC21-BSCHEMBL16432835DTXSID3010282902,2',3-tribromobiphenyl-4,4'-dicarboxylic acid
Database identifiers
- PubChem CID
- 44181740
- DTXSID
DTXSID301028290
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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