Basic information
- Standard SMILES
CCOC(=O)c1c(CBr)n(-c2ccccc2)c2ccccc12- InChIKey
YMBHOULLXAIPPB-UHFFFAOYSA-N- Molecular formula
- C18H16BrNO2
- Average molar mass
- 358.2 g/mol
- Monoisotopic mass
- 357.03644
Names & identifiers
- Preferred name
- 2-Bromomethyl-1-phenyl-1H-indole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-(bromomethyl)-1-phenylindole-3-carboxylate
Names & synonyms
SCHEMBL2883770YMBHOULLXAIPPB-UHFFFAOYSA-N2-Bromomethyl-1-phenyl-1H-indole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68427498
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
3 records
Compound notes
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