6-Ethyl-5,7-difluoro-1H-indole-2-carboxylic acid
Basic information
- CAS
749242-76-0- Standard SMILES
CCc1c(F)cc2cc(C(=O)O)[nH]c2c1F- InChIKey
KOJZRWHHPUKAPQ-UHFFFAOYSA-N- Molecular formula
- C11H9F2NO2
- Average molar mass
- 225.19 g/mol
Names & identifiers
- Preferred name
- 6-Ethyl-5,7-difluoro-1H-indole-2-carboxylic acid
- IUPAC
- 6-ethyl-5,7-difluoro-1H-indole-2-carboxylic acid
- English name
- 1H-Indole-2-carboxylicacid,6-ethyl-5,7-difluoro-(9CI)
- Molecular formula
- C11H9F2NO2
- Molecular weight
- 225.1914664
Names & synonyms
749242-76-06-Ethyl-5,7-difluoro-1H-indole-2-carboxylic acidDB-2793376-Ethyl-5,7-difluoro-1H-indole-2-carboxylicacid1H-INDOLE-2-CARBOXYLIC ACID, 6-ETHYL-5,7-DIFLUORO-1H-Indole-2-carboxylicacid,6-ethyl-5,7-difluoro-(9CI)
Database identifiers
- CAS
749242-76-0
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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