2-Chloro-1-(3-fluorobenzoyl)indole-3-carbaldehyde
Basic information
- CAS
68770-79-6- Standard SMILES
O=Cc1c(Cl)n(C(=O)c2cccc(F)c2)c2ccccc12- InChIKey
BLFGSMXRNJMGGK-UHFFFAOYSA-N- Molecular formula
- C16H9ClFNO2
- Average molar mass
- 301.7 g/mol
- Monoisotopic mass
- 301.0305844
Names & identifiers
- Preferred name
- 2-Chloro-1-(3-fluorobenzoyl)indole-3-carbaldehyde
- IUPAC
- 2-chloro-1-(3-fluorobenzoyl)indole-3-carbaldehyde
Names & synonyms
2-chloro-1-(3-fluorobenzoyl)indole-3-carbaldehyde68770-79-6NSC286441DTXSID70314606NSC-286441DS-0039832-Chloro-1-(3-fluorobenzoyl)-1H-indole-3-carbaldehyde
Database identifiers
- CAS
68770-79-6- PubChem CID
- 323732
- DTXSID
DTXSID70314606
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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