Basic information
- Standard SMILES
COC(=O)c1ccc2[nH]cc(Cl)c2c1- InChIKey
OMBSZOYAVYWOQL-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-1H-indole-5-carboxylic acid methyl ester
- IUPAC
- methyl 3-chloro-1H-indole-5-carboxylate
Names & synonyms
3-Chloro-1H-indole-5-carboxylic acid methyl esterSCHEMBL3388496OMBSZOYAVYWOQL-UHFFFAOYSA-Nmethyl 3-chloro-5-indolecarboxylatemethyl 3-chloro-1H-indole-5-carboxylate
Database identifiers
- PubChem CID
- 21998728
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
7 records
Compound notes
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