6-chloro-7-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Basic information
- Standard SMILES
Cc1cc(Cl)c(Oc2cc3c(cc2Cl)C=C(C(=O)O)C(C(F)(F)F)O3)cc1C- InChIKey
CWQKFBAEQAGBMM-UHFFFAOYSA-N- Molecular formula
- C19H13Cl2F3O4
- Average molar mass
- 433.2 g/mol
- Monoisotopic mass
- 432.0142988
Names & identifiers
- Preferred name
- 6-chloro-7-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
- IUPAC
- 6-chloro-7-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Names & synonyms
6-chloro-7-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acidSCHEMBL5648567
Database identifiers
- PubChem CID
- 11487309
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 627
Related reactions
2 records
Compound notes
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