Basic information
- Standard SMILES
CC(C)n1ccc2c(C(=O)O)cc(Br)cc21- InChIKey
JOQBPKCRQCYVKT-UHFFFAOYSA-N- Molecular formula
- C12H12BrNO2
- Average molar mass
- 282.13 g/mol
Names & identifiers
- Preferred name
- 6-bromo-1-(1-methylethyl)-1H-indole-4-carboxylic acid
- IUPAC
- 6-bromo-1-propan-2-ylindole-4-carboxylic acid
Names & synonyms
1346575-53-86-bromo-1-(1-methylethyl)-1H-indole-4-carboxylic acid6-bromo-1-isopropyl-1H-indole-4-carboxylic acidSCHEMBL2594898JOQBPKCRQCYVKT-UHFFFAOYSA-NDB-3690316-bromo-1-propan-2-ylindole-4-carboxylic acidA1-15355
Database identifiers
- PubChem CID
- 67468638
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Related reactions
27 records
Compound notes
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