Basic information
- CAS
68770-77-4- Standard SMILES
O=Cc1c(Cl)n(C(=O)c2ccc(F)cc2)c2ccccc12- InChIKey
BFZRXUYNOHKHMS-UHFFFAOYSA-N- Molecular formula
- C16H9ClFNO2
- Average molar mass
- 301.7 g/mol
- Monoisotopic mass
- 301.0305844
Names & identifiers
- Preferred name
- 2-Chloro-1-(4-fluorobenzoyl)indole-3-carbaldehyde
- IUPAC
- 2-chloro-1-(4-fluorobenzoyl)indole-3-carbaldehyde
Names & synonyms
2-chloro-1-(4-fluorobenzoyl)indole-3-carbaldehyde68770-77-4NSC286442DTXSID30314607NSC-286442DS-0130982-Chloro-1-(4-fluorobenzoyl)-1H-indole-3-carbaldehyde
Database identifiers
- CAS
68770-77-4- PubChem CID
- 323733
- DTXSID
DTXSID30314607
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
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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