Basic information
- Standard SMILES
CCOC(=O)c1[nH]c2c(Br)cccc2c1Cc1ccccc1- InChIKey
DSXFVRSNGQHDPJ-UHFFFAOYSA-N- Molecular formula
- C18H16BrNO2
- Average molar mass
- 358.2 g/mol
Names & identifiers
- Preferred name
- 3-benzyl-7-bromo-1H-indole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-benzyl-7-bromo-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL3299073DSXFVRSNGQHDPJ-UHFFFAOYSA-N3-benzyl-7-bromo-1H-indole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59344906
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
2 records
Compound notes
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