Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(OC)cc(Cl)c2[nH]1- InChIKey
GRUNHYTYUVRSRW-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO3
- Average molar mass
- 253.68 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-chloro-5-methoxyindole-2-carboxylate
- IUPAC
- ethyl 7-chloro-5-methoxy-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL4386339GRUNHYTYUVRSRW-UHFFFAOYSA-NDB-170398ethyl 7-chloro-5-methoxyindole-2-carboxylate7-Chloro-5-methoxy-1H-indole-2-carboxylic acid ethyl ester288384-68-9
Database identifiers
- PubChem CID
- 22030809
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
5 records
Compound notes
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