2-[(1,2-Dimethyl-3-indolyl)carbonyl]-3,4,5,6-tetrachlorobenzoic acid
Basic information
- Standard SMILES
Cc1c(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c2ccccc2n1C- InChIKey
GVUMKRGJZSJDSE-UHFFFAOYSA-N- Molecular formula
- C18H11Cl4NO3
- Average molar mass
- 431.1 g/mol
Names & identifiers
- Preferred name
- 2-[(1,2-Dimethyl-3-indolyl)carbonyl]-3,4,5,6-tetrachlorobenzoic acid
- IUPAC
- 2,3,4,5-tetrachloro-6-(1,2-dimethylindole-3-carbonyl)benzoic acid
Names & synonyms
SCHEMBL11245593GVUMKRGJZSJDSE-UHFFFAOYSA-N2-[(1,2-dimethyl-3-indolyl)carbonyl]-3,4,5,6-tetrachlorobenzoic acid
Database identifiers
- PubChem CID
- 20523536
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 577
Related reactions
3 records
Compound notes
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