Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate
Basic information
- CAS
586337-03-3- Standard SMILES
CCOC(=O)c1[nH]c2cc(Cl)cc(F)c2c1C=O- InChIKey
HVWUQJYANOWQFB-UHFFFAOYSA-N- Molecular formula
- C12H9ClFNO3
- Average molar mass
- 269.65 g/mol
- Monoisotopic mass
- 269.025499
Names & identifiers
- Preferred name
- Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate
- English name
- 1H-INDOLE-2-CARBOXYLIC ACID,6-CHLORO-4-FLUORO-3-FORMYL-,ETHYL ESTER
- Molecular formula
- C12H9ClFNO3
- Molecular weight
- 269.66
Names & synonyms
586337-03-3Ethyl 6-chloro-4-fluoro-3-formyl-1H-indole-2-carboxylate1h-indole-2-carboxylic acid,6-chloro-4-fluoro-3-formyl-,ethyl esterSCHEMBL299522491H-INDOLE-2-CARBOXYLIC ACID,6-CHLORO-4-FLUORO-3-FODB-3229551H-INDOLE-2-CARBOXYLIC ACID, 6-CHLORO-4-FLUORO-3-FORMYL-, ETHYL ESTER
Database identifiers
- CAS
586337-03-3- PubChem CID
- 3940453
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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