Basic information
- Standard SMILES
CCOC(=O)c1cc2ccc(Cl)cc2n1C(C)C#N- InChIKey
UJPSFZNFNLMHIV-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O2
- Average molar mass
- 276.72 g/mol
Names & identifiers
- Preferred name
- 6-chloro-1-(cyano-methyl-methyl)-1H-indole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 6-chloro-1-(1-cyanoethyl)indole-2-carboxylate
Names & synonyms
SCHEMBL5351869UJPSFZNFNLMHIV-UHFFFAOYSA-N6-chloro-1-(cyano-methyl-methyl)-1H-indole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69414302
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
2 records
Compound notes
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