Basic information
- Standard SMILES
COC(=O)c1[nH]c2c(C)ccc(C)c2c1Br- InChIKey
BBIWJVMHOQYAQO-UHFFFAOYSA-N- Molecular formula
- C12H12BrNO2
- Average molar mass
- 282.13 g/mol
Names & identifiers
- Preferred name
- Methyl 3-bromo-4,7-dimethylindole-2-carboxylate
- IUPAC
- methyl 3-bromo-4,7-dimethyl-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL8321899BBIWJVMHOQYAQO-UHFFFAOYSA-Nmethyl 3-bromo-4,7-dimethylindole-2-carboxylate
Database identifiers
- PubChem CID
- 53673237
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
3 records
Compound notes
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