1-[2-(2-Chlorophenoxy)ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Basic information
- CAS
943119-68-4- Standard SMILES
Cc1cc(C=O)c(C)n1CCOc1ccccc1Cl- InChIKey
SBCSQMJTLXWWMD-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO2
- Average molar mass
- 277.74 g/mol
- Monoisotopic mass
- 277.0869564
Names & identifiers
- Preferred name
- 1-[2-(2-Chlorophenoxy)ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
- IUPAC
- 1-[2-(2-chlorophenoxy)ethyl]-2,5-dimethylpyrrole-3-carbaldehyde
Names & synonyms
DTXSID601157800AKOS0003436901-[2-(2-Chlorophenoxy)ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde1-[2-(2-Chlorophenoxy)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxaldehyde943119-68-4
Database identifiers
- CAS
943119-68-4- PubChem CID
- 20109757
- DTXSID
DTXSID601157800
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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