Basic information
- Standard SMILES
COC(=O)n1c(C)cc2c(Br)c(Cl)ccc21- InChIKey
TWLGFIGHBCCHFI-UHFFFAOYSA-N- Molecular formula
- C11H9BrClNO2
- Average molar mass
- 302.55 g/mol
- Monoisotopic mass
- 300.95052
Names & identifiers
- Preferred name
- 4-Bromo-5-chloro-2-methyl-indole-1-carboxylic acid methyl ester
- IUPAC
- methyl 4-bromo-5-chloro-2-methylindole-1-carboxylate
Names & synonyms
SCHEMBL855826TWLGFIGHBCCHFI-UHFFFAOYSA-N4-Bromo-5-chloro-2-methyl-indole-1-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66820113
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Related reactions
2 records
Compound notes
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