Basic information
- Standard SMILES
CN(C)c1ccc(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c(N(C)C)c1- InChIKey
XQAJNFBEMCMXSV-UHFFFAOYSA-N- Molecular formula
- C18H16Cl4N2O3
- Average molar mass
- 450.1 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-Bis(dimethylamino)benzoyl)-3,4,5,6-tetrachlorobenzoic acid
- IUPAC
- 2-[2,4-bis(dimethylamino)benzoyl]-3,4,5,6-tetrachlorobenzoic acid
Names & synonyms
SCHEMBL11438874XQAJNFBEMCMXSV-UHFFFAOYSA-N2-(2,4-bis(dimethylamino)benzoyl)-3,4,5,6-tetrachlorobenzoic acid2-(2,4-bis(dimethylamino)-benzoyl)-3,4,5,6-tetrachlorobenzoic acid
Database identifiers
- PubChem CID
- 23343373
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 563
Related reactions
6 records
Compound notes
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