Basic information
- CAS
139742-78-2- Standard SMILES
CCCCc1nc(C=O)c(Br)[nH]1- InChIKey
WMAQGSKZDVUZAV-UHFFFAOYSA-N- Molecular formula
- C8H11BrN2O
- Average molar mass
- 231.09 g/mol
- Monoisotopic mass
- 230.00548
Names & identifiers
- Preferred name
- 1H-Imidazole-4-carboxaldehyde, 5-bromo-2-butyl-
- IUPAC
- 5-bromo-2-butyl-1H-imidazole-4-carbaldehyde
Names & synonyms
139742-78-21H-Imidazole-4-carboxaldehyde, 5-bromo-2-butyl-5-bromo-2-butyl-1H-imidazole-4-carbaldehydeSCHEMBL1257638SCHEMBL9123535DTXSID10434195WMAQGSKZDVUZAV-UHFFFAOYSA-N5-Bromo-2-butyl-3H-imidazole-4-carbaldehyde5-bromo-2-butyl-1H-imidazole-4-carboxaldehyde5-Bromo-2-butyl-3 H-imidazole-4-carbaldehyde
Database identifiers
- CAS
139742-78-2- PubChem CID
- 10014101
- DTXSID
DTXSID10434195- Nikkaji
- J1.585.640H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Related reactions
3 records
Compound notes
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