Basic information
- Standard SMILES
CCOC(=O)C1=Cc2cc(Cl)cc(I)c2OC1C(F)(F)F- InChIKey
IIOHMRKYODCPQF-UHFFFAOYSA-N- Molecular formula
- C13H9ClF3IO3
- Average molar mass
- 432.56 g/mol
Names & identifiers
- Preferred name
- ethyl 6-chloro-8-iodo-2-(trifluoromethyl)-2H-chromene-3-carboxylate
- IUPAC
- ethyl 6-chloro-8-iodo-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Names & synonyms
ethyl 6-chloro-8-iodo-2-(trifluoromethyl)-2H-chromene-3-carboxylateSCHEMBL5644136ethyl 6-chloro-8-iodo-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylateethyl-6-chloro-8-iodo-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Database identifiers
- PubChem CID
- 21883552
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
24 records
Compound notes
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