2-Chloro-1-(3-methylbenzoyl)indole-3-carbaldehyde
Basic information
- CAS
68770-82-1- Standard SMILES
Cc1cccc(C(=O)n2c(Cl)c(C=O)c3ccccc32)c1- InChIKey
LXEHZBCPDSYJKI-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO2
- Average molar mass
- 297.7 g/mol
- Monoisotopic mass
- 297.0556563
Names & identifiers
- Preferred name
- 2-Chloro-1-(3-methylbenzoyl)indole-3-carbaldehyde
- IUPAC
- 2-chloro-1-(3-methylbenzoyl)indole-3-carbaldehyde
Names & synonyms
68770-82-12-chloro-1-(3-methylbenzoyl)indole-3-carbaldehydeNSC286447DTXSID60314610NSC-2864472-Chloro-1-(3-methylbenzoyl)-1H-indole-3-carbaldehyde
Database identifiers
- CAS
68770-82-1- PubChem CID
- 323738
- DTXSID
DTXSID60314610
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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