2-Chloro-1-(2-methylbenzoyl)indole-3-carbaldehyde
Basic information
- CAS
68770-81-0- Standard SMILES
Cc1ccccc1C(=O)n1c(Cl)c(C=O)c2ccccc21- InChIKey
XKBFRBUHGLXNBR-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO2
- Average molar mass
- 297.7 g/mol
- Monoisotopic mass
- 297.0556563
Names & identifiers
- Preferred name
- 2-Chloro-1-(2-methylbenzoyl)indole-3-carbaldehyde
- IUPAC
- 2-chloro-1-(2-methylbenzoyl)indole-3-carbaldehyde
Names & synonyms
68770-81-02-chloro-1-(2-methylbenzoyl)indole-3-carbaldehydeNSC286446DTXSID50314609NSC-2864462-Chloro-1-(2-methylbenzoyl)-1H-indole-3-carbaldehyde
Database identifiers
- CAS
68770-81-0- PubChem CID
- 323737
- DTXSID
DTXSID50314609
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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