Basic information
- Standard SMILES
COC(=O)c1c(C(C)=O)c2c(Br)cccc2n1C- InChIKey
NIIZOBJLUXKGRH-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO3
- Average molar mass
- 310.14 g/mol
Names & identifiers
- Preferred name
- Methyl 3-acetyl-4-bromo-1-methyl-1H-indole-2-carboxylate
- IUPAC
- methyl 3-acetyl-4-bromo-1-methylindole-2-carboxylate
Names & synonyms
SCHEMBL7751623NIIZOBJLUXKGRH-UHFFFAOYSA-NMethyl 3-acetyl-4-bromo-1-methyl-1H-indole-2-carboxylate
Database identifiers
- PubChem CID
- 21183733
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
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