Basic information
- Standard SMILES
CCOC(=O)c1[nH]c2ccc(Br)cc2c1Cl- InChIKey
CMGCJTFXYGLJBM-UHFFFAOYSA-N- Molecular formula
- C11H9BrClNO2
- Average molar mass
- 302.55 g/mol
Names & identifiers
- Preferred name
- ethyl 5-bromo-3-chloro-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-bromo-3-chloro-1H-indole-2-carboxylate
Names & synonyms
ethyl 5-bromo-3-chloro-1H-indole-2-carboxylate91062-61-25-bromo-3-chloro-1H-indole-2-carboxylic acid ethyl ester5-Bromo-3-chloroindole-2-carboxylic acid ethyl esterSCHEMBL3013033CMGCJTFXYGLJBM-UHFFFAOYSA-NAKOS005135841DB-123885CS-0530963AB00997234-01Z432409570
Database identifiers
- PubChem CID
- 28330549
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
9 records
Compound notes
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